Citations (407)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (23)
K. Srishailam, L. Ravindranath, B. Venkatram Reddy & G. Ramana Rao. (2023) Electronic Spectra (Experimental and Simulated), and DFT Investigation of NLO, FMO, NBO, and MESP Characteristics of Some Biphenylcarboxaldehydes. Polycyclic Aromatic Compounds 43:8, pages 7200-7213.
Read now
Read now
P. Sangeetha, Naiyf S. Alharbi, Aleksandr S. Kazachenko, S. Muthu & R. Rajesh. (2023) Spectroscopic analysis of 2-amino-1-naphthalenesulfonic acid, molecular docking, and evaluation of the electronic properties of several solvents. Spectroscopy Letters 56:6, pages 323-342.
Read now
Read now
Younesse Ait Elmachkouri, Yusuf Sert, Ezaddine Irrou, El Hassane Anouar, Hassan Ouachtak, Joel T. Mague, Nada Kheira Sebbar, El Mokhtar Essassi & Mohamed Labd Taha. (2023) Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives. Polycyclic Aromatic Compounds 0:0, pages 1-22.
Read now
Read now
A. Jeelani, S. Muthu, Fazilath Basha A, Ahmad Irfan & Rajesh R. (2023) Experimental spectroscopic and quantum computational investigation and molecular docking analysis of N-benzyloxycarbonyl-l-serine – an anticancer agent. Spectroscopy Letters 56:3, pages 147-165.
Read now
Read now
Mohd Sajid Ali, Jayaraman Muthukumaran, Monika Jain, Hamad A. Al-Lohedan, M. Abul Farah & Osama Ibrahim Alsowilem. (2022) Experimental and computational investigation on the binding of anticancer drug gemcitabine with bovine serum albumin. Journal of Biomolecular Structure and Dynamics 40:19, pages 9144-9157.
Read now
Read now
B. Sreenivas, L. Ravindranath, K. Srishailam, Jai Kishan Ojha & B. Venkatram Reddy. (2022) Experimental and density functional theory study on structure, vibrational and molecular characteristics of 2-chloro-5-methylpyrimidine and 2,4-dichloro-5-methylpyrimidine. Molecular Simulation 48:11, pages 1017-1030.
Read now
Read now
B. Radhika, J. Prashanth, Srinivas Basavoju, S. Jyothi & B. Venkatram Reddy. (2022) Synthesis, single-crystal X-ray diffraction, NLO and DFT studies of centrosymmetric 4-amino-3,5-dimethyl-1H-pyrazolium citrate monohydrate salt. Molecular Physics 120:6.
Read now
Read now
R. Mekala & R. Mathammal. (2021) Design and structural characterization of 2-methyl 8-hydroxyl quinolinilium 5-chloro salicylate salt. Molecular Crystals and Liquid Crystals 730:1, pages 52-74.
Read now
Read now
G. Vijayakumari, N. Iyandurai, S. Muthu, Fazilath Basha Asif, M. Raja & A. Thamarai. (2021) Structural, spectral, electronic and optical investigations of D-(-)-alpha-Phenylglycine: protease kinase inhibitor. Spectroscopy Letters 54:8, pages 590-606.
Read now
Read now
Imene Denni, Chafia Ait Ramdane-Terbouche, Achour Terbouche, Hasnia Abdeldjebar, Houria Lakhdari, Khaled Ait-Ramdane, Khaldoun Bachari, Thierry Roisnel, Didier Hauchard & Naima Ghemmit-Doulache. (2021) Crystal structure, Hirshfeld surface and reactivity of novel ligand-LAT1 derived from dehydroacetic acid: intermolecular interactions with SARS-Cov-2/main protease. Molecular Crystals and Liquid Crystals 715:1, pages 81-103.
Read now
Read now
Jyothi Prashanth, Ramaiah Konakanchi & Byru Venkatram Reddy. (2019) Barrier potentials, molecular structure, force filed calculations and quantum chemical studies of some bipyridine di-carboxylic acids using the experimental and theoretical using (DFT, IVP) approach. Molecular Simulation 45:16, pages 1353-1383.
Read now
Read now
Hassan H. Abdallah, Hawnaz M. Ishmael, Hewa Y. Abdullah, Yunusa Umar & Ponnadurai Ramasami. (2019) Theoretical study of the syn- and anti-conformers of 2,2ʹ-bifuran derivatives: rotational barrier and solvent effect. Physics and Chemistry of Liquids 57:2, pages 174-183.
Read now
Read now
Azees Khan Haleel, Dharmasivam Mahendiran, Ummer Muhammed Rafi, Vijaykumar Veena, Sugumar Shobana & Aziz Kalilur Rahiman. (2018) Tetrazolo[1,5-a]pyrimidine-based metal(II) complexes as therapeutic agents: DNA interaction, targeting topoisomerase I and cyclin-dependent kinase studies. Inorganic and Nano-Metal Chemistry 48:12, pages 569-582.
Read now
Read now
Serda Kecel-Gündüz, Yasemin Budama-Kilinc, Rabia Cakir Koc, Yagmur Kökcü, Bilge Bicak, Bahar Aslan & Aysen E. Özel. (2018) Computational design of Phe-Tyr dipeptide and preparation, characterization, cytotoxicity studies of Phe-Tyr dipeptide loaded PLGA nanoparticles for the treatment of hypertension. Journal of Biomolecular Structure and Dynamics 36:11, pages 2893-2907.
Read now
Read now
Meryem Evecen, Hasan Tanak, Necmi Dege, Mehmet Kara, Onur Erman Dogan & Erbil Ağar. (2017) Molecular structure, spectroscopic, and density functional theory studies of o-Dianisidine. Molecular Crystals and Liquid Crystals 648:1, pages 183-201.
Read now
Read now
Govindasamy Gurumoorthy & Subbiah Thirumaran. (2017) Synthesis, spectral, structural, and DFT studies on nickel(II) complexes with pyrrole based dithiocarbamate and triphenylphosphine ligands. Phosphorus, Sulfur, and Silicon and the Related Elements 192:3, pages 330-337.
Read now
Read now
Ambrish Kumar Srivastava, Anoop Kumar Pandey, Saurabh Pandey & Neeraj Misra. (2016) Structural, Electronic Properties, Hydrogen Bonding Analyses, and Biological Activity of Two Multiple Myeloma Drugs: Lenalidomide and Pomalidomide. Polycyclic Aromatic Compounds 36:4, pages 452-466.
Read now
Read now
G.R. Ramkumaar, M. Baby Shalini, S. Gunasekaran & S. Srinivasan. (2015) Spectroscopic investigation on glutamic acid by Coulomb-attenuating and double hybrid density functional theory methods. Molecular Simulation 41:4, pages 333-344.
Read now
Read now
Ahmet Çabuk, YadigarG. Sidir, Pinar Aytar, Serap Gedikli & İsa Sidir. (2012) Dechlorination of chlorinated compounds by Trametes versicolor ATCC 200801 crude laccase and quantitative structure-activity relationship of toxicity. Journal of Environmental Science and Health, Part A 47:12, pages 1938-1947.
Read now
Read now
A.M. Al-Sabagh, N.G. Kandile, Nahed Amer, Omaima Ramadan & E.A. Khamis. (2012) Quaternary Ammonium Salts from Hydrolyzed Fatty Oil Based on Novel Tertiary Amines Used as Corrosion Inhibitors for Pipelines Carbon Steel at Acid Job in Petroleum Industry. Journal of Dispersion Science and Technology 33:9, pages 1307-1320.
Read now
Read now
O. Siri, A. Tabard, P. Pullumbi & R. Guilard. (2008) Cobalt complex based on cyclam for reversible binding of nitric oxide. Molecular Simulation 34:10-15, pages 909-921.
Read now
Read now
D. F. V. Lewis, C. Ioannides & D. V. Parke. (1998) An Improved and Updated Version of the Compact Procedure for the Evaluation of P450-Mediated Chemical Activation. Drug Metabolism Reviews 30:4, pages 709-737.
Read now
Read now
D. F. V. Lewis, P. G. Brantom, C. Ioannides, R. Walker & D. V. Parke. (1997) Nitrosamine Carcinogenesis: Rodent Assays, Quantitative Structure-Activity Relationships, and Human Risk Assessment. Drug Metabolism Reviews 29:4, pages 1055-1078.
Read now
Read now
Articles from other publishers (384)
Sreenivas Boda, L. Ravindranath, K. Srishailam, G. Ramesh, Jai Kishan Ojha & B. Venkatram Reddy. (2024) Monohalogenated methyl- and methoxy-benzoic acids: A combined experimental and quantum chemical theoretical study on their structure, vibrational analysis and molecular parameters. Journal of Molecular Structure 1298, pages 137078.
Crossref
Crossref
K. Guna, P. Sakthivel, I. Ragavan, A. Arunkumar, P.M. Anbarasan & Mohd Shkir. (2024) An experimental and computational analysis on 2,6-diamine-7H-purine ligand with spectroscopic, AIM, NLO and biological activity. Optics & Laser Technology 168, pages 109872.
Crossref
Crossref
A. Aathif Basha, Attar Kubaib & Mohammad Azam. (2024) Exploring the antiviral potency of γ-FP and PA compounds: Electronic characterization, non-covalent interaction analysis and docking profiling with emphasis on QTAIM aspects. Computational and Theoretical Chemistry 1231, pages 114412.
Crossref
Crossref
Ayoub Eddhimi, Hassane Lgaz, Han-seung Lee & Hafid Zouihri. (2023) Comprehensive analysis of the structural, elastic, electronic, optical, and mechanical properties of orthorhombic CS(NH2)2 under pressure: A first-principles approach. Materials Today Communications 37, pages 107110.
Crossref
Crossref
K. Deepakvijay, A. Prakasam, R. Arivazhagan & P.M. Anbarasan. (2023) Insights into the structural, electronic, quantum chemical properties and molecular docking studies on novel NAMPT inhibitor molecule. Chemical Physics Impact 7, pages 100395.
Crossref
Crossref
Hero Khan Pathan, Ghazala Khanum, Rabia Javed, Nazia Siddiqui, S. Selvakumari, S Muthu, Akram Ali, Himanshu Arora, Mohd Afzal, Anuj Kumar & Saleem Javed. (2023) Quantum computational, spectroscopic characterization, Hirshfeld analysis & molecular docking studies on p-toluenesulfonic acid (p-TSA) or tosylic acid. Chemical Physics Impact 7, pages 100320.
Crossref
Crossref
Fouad N. Ajeel, Kareem H. Bardan, Saja H. Kareem & Alaa M. Khudhair. (2023) Pd doped carbon nanotubes as a drug carrier for Gemcitabine anticancer drug: DFT studies. Chemical Physics Impact 7, pages 100298.
Crossref
Crossref
Nombulelo T.P. Nyoni, Nomagugu B. Ncube, Mbali X. Kubheka, Nompumelelo P. Mkhwanazi, Sibusiso Senzani, Thishana Singh & Matshawandile Tukulula. (2023) Synthesis, characterization, in vitro antimycobacterial and cytotoxicity evaluation, DFT calculations, molecular docking and ADME studies of new isomeric benzimidazole-1,2,3-triazole-quinoline hybrid mixtures. Bioorganic Chemistry 141, pages 106904.
Crossref
Crossref
Subhechha Sabud, Madhumita Bera & Jagannath Pal. (2023) Topological analysis and reactivity study of monomeric and dimeric forms of 2-methyl-4(1H)-quinolone: a computational study. Journal of Molecular Modeling 29:12.
Crossref
Crossref
Mahesh Madar, Venkatesan Srinivasan, Kosuru Rekha Yamini, Malatesh S. Pujar, Mahanthesh M. Basanagouda, Dhakshinamurthy Divya & Ashok H. Sidarai. (2023) Miniscule modification of coumarin-based potential biomaterials: Synthesis, characterization, computational and biological studies. Journal of Photochemistry and Photobiology A: Chemistry 445, pages 115044.
Crossref
Crossref
RO.MU. Jauhar, V. Mohankumar, V. Viswanathan, T. Kamalesh, Tholkappiyan Ramachandran & Paavai. Era. (2023) Analyzing the three-dimensional networks of piperazinium hydrogenisophthalate – Insight on the experimental, theoretical, birefringent behavior and nonlinear optical study. Journal of Molecular Structure 1290, pages 135845.
Crossref
Crossref
A. Aathif Basha, F. Liakath Ali Khan, Attar Kubaib, Predhanekar Mohamed Imran & Nadia Nebbache. (2023)
Ternary Mixture of Pentanamide in Solvent Analogy with Halogenated Phenol: Experimental, Theoretical, and
In Silico
Biological Studies
. ACS Omega.
Crossref
Crossref
G. Anand, M. Sivasubramanian, I. Manimehan, A. Ruby, R. Abinayashri & R.K. Asmitha. (2023) Synthesis, spectroscopic elucidation (FT-IR, FT-Raman, UV–vis), quantum chemical computation (PES, FMO, HOMO–LUMO, MEP, NLO, Hirshfeld) and molecular docking studies on 2-thiophenecarboxamide crystal. Journal of Molecular Structure 1286, pages 135586.
Crossref
Crossref
Noureddine Mhadhbi, Souad Dgachi, Ali Ben Ahmed, Noureddine Issaoui, Samia Nasr, Riadh Badraoui, Bechir Badraoui & Houcine Naïli. (2023) Vibrational Spectroscopies, Global Reactivity, Molecular Docking, Thermodynamic Properties and Linear and Nonlinear Optical Parameters of Monohydrate Arsenate Salt of 4-Aminopyridine. Chemistry Africa 6:4, pages 1897-1912.
Crossref
Crossref
Rezan Huseen Hama Salih, Aso Hameed Hasan, Narmin Hamaamin Hussen, Farouq Emam Hawaiz, Taibi Ben Hadda, Joazaizulfazli Jamalis, Faisal A. Almalki, Adedapo S. Adeyinka, Louis-Charl C. Coetzee & Abel Kolawole Oyebamiji. (2023) Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis. Journal of Molecular Structure 1282, pages 135191.
Crossref
Crossref
Kavita Dhariyal, Shama Parveen, Saurabh Kumar, Monisha Banerjee, Princi Sharma, Sudheer Kumar Singh & Ashok K. Singh. (2023) Half-sandwich ruthenium–arene thiosemicarbazones complexes: Synthesis, characterization, biological evaluation and DFT calculations. Inorganic Chemistry Communications 152, pages 110678.
Crossref
Crossref
Konstantinos G. Kalamatianos. (2022) In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J). Molecular Diversity 27:3, pages 1087-1099.
Crossref
Crossref
Seda KARABOĞA & Gürcan YILDIRIM. (2023) A comparative investigation for identification of N-(4-dimethylamino 3,5-dinitrophenyl)maleimide. Journal of New Results in Science 12:1, pages 27-46.
Crossref
Crossref
Aybek YİĞİT & Zeynep Şilan TURHAN. (2023) Theoretical Investigation of Some Synthesized 3-Arylamino-5-[2-(Substituted 1-imidazole) Ethyl 1]-1,2,4-Triazole DerivativesBazı Sentezlenmiş 3-Arilamino-5-[2-(Sübstitüe Edilmiş 1-İmidazol) Etil 1]-1,2,4-Triazol Türevlerinin Teorik İncelenmesi. Yüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi 28:1, pages 76-91.
Crossref
Crossref
Tunde L. Yusuf, Eric O. Akintemi, Sulaimon Olagboye & Gideon F. Tolufashe. (2023) Investigating the biological actions of some Schiff bases using density functional theory study. Physical Sciences Reviews 8:4, pages 535-547.
Crossref
Crossref
Shaheen Fatma, Sonam Rai, Poornima Devi & Abha Bishnoi. (2023) A Combined Experimental and Theoretical DFT (B3LYP and CAMB3LYP)
Study on Spectral Features (FT-IR, NMR, and UV-Visible),
First-order Hyperpolarizability, NBO and HOMO-LUMO Analysis of
4-(dimethylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. Letters in Organic Chemistry 20:4, pages 312-325.
Crossref
Crossref
Nizar Lefi, Aleksandr S. Kazachenko, Murugesan Raja, Noureddine Issaoui & Anna S. Kazachenko. (2023) Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors. Molecules 28:6, pages 2669.
Crossref
Crossref
A. Steephenraj, Chinnasami Sidden, Rajesh Paulraj & S. Sahaya Jude Dhas. (2023) Growth, structural, vibrational, characterization and DFT investigations of 2-methylimidazolium hydrogen oxalate dihydrate (2MIO) single crystal-towards third order NLO applications. Journal of Molecular Structure 1275, pages 134665.
Crossref
Crossref
Ahmed S. M. Al-Janabi, Amin O. Elzupir, Mortaga M. Abou-Krisha & Tarek A. Yousef. (2023) New Dual Inhibitors of SARS-CoV-2 Based on Metal Complexes with Schiff-Base 4-Chloro-3-Methyl Phenyl Hydrazine: Synthesis, DFT, Antibacterial Properties and Molecular Docking Studies. Inorganics 11:2, pages 63.
Crossref
Crossref
Jai Kishan Ojha, Gaddam Ramesh & B. Venkatram Reddy. (2023) Quantum Chemical Study for Structure, Electronic and NLO Properties of
2-Amino-4-nitrotoluene and 2-Amino-5-nitrotoluene. Asian Journal of Chemistry 35:5, pages 1283-1290.
Crossref
Crossref
Shahin Ahmadi, Sepideh Ketabi & Marjan Jebeli Javan. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
25
56
.
Abdulrhman A. Al-Shamry, Mai M. Khalaf, Hany M. Abd El-Lateef, Tarek A. Yousef, Gehad G. Mohamed, Kariman M. Kamal El-Deen, Mohamed Gouda & Ahmed M. Abu-Dief. (2022) Development of New Azomethine Metal Chelates Derived from Isatin: DFT and Pharmaceutical Studies. Materials 16:1, pages 83.
Crossref
Crossref
Joseph Iruthayaraj Ragavan, Ponnusamy M. Anbarasan, Ammasi Arunkumar & A. Ibrahim. (2022) Design, Synthesis, Spectroscopic Characterization, Molecular Docking and Biological Evaluation of 9H-Carbazole Linked 4-Nitrophenol: A DFT Approach. Journal of Computational Biophysics and Chemistry 21:08, pages 909-926.
Crossref
Crossref
Ummuhan Solmaz & Hakan Arslan. (2022) Spectral, crystallographic, theoretical, and catalytic activity studies of the PdII complexes in different coordination modes of benzoylthiourea ligand. Journal of Molecular Structure 1269, pages 133839.
Crossref
Crossref
Özge Güngör, Zeynep Demircioğlu & Ayşegül Gölcü. (2022) The new dimeric copper(II) complex from anticancer drug cytosine arabinoside. Journal of Molecular Structure 1270, pages 133826.
Crossref
Crossref
Hailin Zhu, Jianhua Liu, Xiaomeng Lu, Dehua Wang, Tao Geng, Li Feng, Dong Liang, Xuemei Ma & Zhiyong Hu. (2022) Wettability and anticorrosion behavior of organic-inorganic hybrid superhydrophobic epoxy coatings containing triazine corrosion inhibitor loaded in mesoporous molecular sieve. Journal of the Taiwan Institute of Chemical Engineers 141, pages 104604.
Crossref
Crossref
Mohammad Tabish, Jingmao Zhao, Anuj Kumar, Jiatong Yan, Jingbao Wang, Fan Shi, Jun Zhang, Lijun Peng, Muhammad Asim Mushtaq & Ghulam Yasin. (2022) Developing epoxy-based anti-corrosion functional nanocomposite coating with CaFe-Tolyl-triazole layered double hydroxide@g-C3N4 as nanofillers on Q235 steel substrate against NaCl corrosive environment. Chemical Engineering Journal 450, pages 137624.
Crossref
Crossref
Simplice Koudjina, Wilfried G. Kanhounnon, Gaston A. Kpotin, Affi Sopi Thomas, René Sawadogo, Abderrahmane Semmeq, Naveen Kosar, Michael Badawi, Tariq Mahmood & Guy Y.S. Atohoun. (2022) Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane. Journal of Molecular Graphics and Modelling 116, pages 108268.
Crossref
Crossref
Francisxavier Paularokiadoss, Chinnappan Adaikalaraj, Mariyan Sebastian Marianathan, Gaspar Anand, Sundaram Periyasamy, Thayalaraj Christopher Jeyakumar, Miguel Reina & Christian A. Celaya. (2022) Exploring the Fe doped borazine system as a promising CFC adsorbent: A DFT study. Computational and Theoretical Chemistry 1217, pages 113903.
Crossref
Crossref
Zeynep Şilan Turhan & Figen Tenlįk. (2022) Theoretical investigation of some 1,2,4-triazole-based molecules synthetized. Zeitschrift für Physikalische Chemie 236:10, pages 1357-1376.
Crossref
Crossref
Shivangi Garg, Komal, Sonal Singhal & Neetu Goel. (2022) Experimental and computational investigation on Polyaniline/Zno nanocomposite for dye adsorption. Materials Science and Engineering: B 284, pages 115895.
Crossref
Crossref
Antonyraj Innasiraj, Balamurugan Anandhi, Yakkobu Gnanadeepam, Niloy Das, Francisxavier Paularokiadoss, Anbumani Velmurugan Ilavarasi, Clarence Dorothy Sheela, Dinakara Rao Ampasala & Thayalaraj Christopher Jeyakumar. (2022) Experimental and theoretical studies of novel Schiff base based on diammino benzophenone with formyl chromone – BPAMC. Journal of Molecular Structure 1265, pages 133450.
Crossref
Crossref
C. Yorur Goreci. (2022) Synthesis and comparative spectroscopic studies, HOMO–LUMO analysis and molecular docking studies of 3,3′-(1,4-phenylene)bis[2-(6-chloropyridin-3-yl)prop‑2-enenitrile] based on DFT. Journal of Molecular Structure 1263, pages 133149.
Crossref
Crossref
Huzaifa Yasir Khan, Mohammad Tarique Zeyad, Suffora Akhter, Sartaj Tabassum & Farukh Arjmand. (2022) Comprehensive structural {single crystal X-raydiffraction, spectroscopic & DFT computational simulation} and biological {in vitro DNA binding & antibacterial} studies of polymeric copper(Ⅱ)-based imidazole drug entity. Inorganica Chimica Acta 538, pages 120978.
Crossref
Crossref
Hasnia Abdeldjebar, Chafia Ait-Ramdane-Terbouche, Achour Terbouche & Houria Lakhdari. (2022) Exploring Schiff base ligand inhibitor for cancer and neurological cells, viruses and bacteria receptors by homology modeling and molecular docking. Computational Toxicology 23, pages 100231.
Crossref
Crossref
M. Vennila, R. Rathikha, S. Muthu, A. Jeelani, R. Niranjana Devi & Ahmad Irfan. (2022) Theoretical spectroscopic electronic elucidation with different solvents (IEFPCM model), biological assessment and molecular docking studies on Moroxydine-Antiviral drug agent. Journal of Molecular Liquids 355, pages 118946.
Crossref
Crossref
Farhad Keivanimehr, Sajjad Habibzadeh & Maryam Mokhtarian. (2022) Enhanced product quality through hydrodesulfurization of pyrolysis gasoline over a mixed metal oxide catalyst: An experimental and DFT study. Fuel 317, pages 123458.
Crossref
Crossref
K. Upendranath, Talavara Venkatesh, Y. Arthoba Nayaka, M. Shashank & G. Nagaraju. (2022) Optoelectronic, DFT and current-voltage performance of new Schiff base 6-nitro-benzimidazole derivatives. Inorganic Chemistry Communications 139, pages 109354.
Crossref
Crossref
Zülbiye KÖKBUDAK, Burçin TÜRKMENOĞLU & Senem AKKOÇ. (2022) A New Schiff Base Molecule Prepared from Pyrimidine-2-thione: Synthesis, Spectral Characterization, Cytotoxic Activity, DFT, and Molecular Docking Studies. Adıyaman University Journal of Science.
Crossref
Crossref
Mohammad Tabish, Jingmao Zhao, Jingbao Wang, Muhammad Junaid Anjum, Yujie Qiang, Qiuxiang Yang, Muhammad Asim Mushtaq & Ghulam Yasin. (2022) Improving the corrosion protection ability of epoxy coating using CaAl LDH intercalated with 2-mercaptobenzothiazole as a pigment on steel substrate. Progress in Organic Coatings 165, pages 106765.
Crossref
Crossref
Dilek Şeyma Kızılcan, Burçin Türkmenoğlu & Yahya Güzel. (2021) Comparison of the performance of different “local reactive descriptors” in 3D-QSAR analysis of enantioselective molecules. Structural Chemistry 33:2, pages 433-443.
Crossref
Crossref
Mohd Sajid Ali & Hamad A. Al-Lohedan. (2022) Experimental and Computational Investigation on the Interaction of Anticancer Drug Gemcitabine with Human Plasma Protein: Effect of Copresence of Ibuprofen on the Binding. Molecules 27:5, pages 1635.
Crossref
Crossref
P. Sangeetha, S. Mullainathan, S. Muthu, Ahmad Irfan, S. Sevvanthi & Fazilath Basha Asif. (2022) Electronic properties (in different solvents), spectroscopic progression and evaluation on 4-morpholinepropane sulfonic acid along with molecular docking analysis. Journal of Molecular Liquids 349, pages 118107.
Crossref
Crossref
Tugba GÖCEN. (2022) HDAC inhibitörü 2-(N-(2-hidroksifenil)-2-propilpentanamid)' in Kuantum Kimyasal Hesaplamalar ile Moleküler Yapı, Spektroskopik (IR, NMR, UV-VIS) İncelemeleri ve Lineer Olmayan Optik (NLO) Analizi. Afyon Kocatepe University Journal of Sciences and Engineering 22:1, pages 1-15.
Crossref
Crossref
Ranyun Xu, Hang Ren, Tongtong Chi, Yuhan Zheng, Yawei Xie, Jinping Tian & Lyujun Chen. (2022) Ozone oxidation of 2,4,6-TCP in the presence of halide ions: Kinetics, degradation pathways and toxicity evaluation. Chemosphere 288, pages 132343.
Crossref
Crossref
Khodayar Gholivand, Fahimeh Mohammadpanah, Mahsa Pooyan & Roohollah Roohzadeh. (2022) Evaluating anti-coronavirus activity of some phosphoramides and their influencing inhibitory factors using molecular docking, DFT, QSAR, and NCI-RDG studies. Journal of Molecular Structure 1248, pages 131481.
Crossref
Crossref
Mohcine Missioui, Musa A. Said, Güneş Demirtaş, Joel T. Mague & Youssef Ramli. (2022) Docking of disordered independent molecules of novel crystal structure of (N-(4-methoxyphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1(2H)-yl)acetamide as anti-COVID-19 and anti-Alzheimer's disease. Crystal structure, HSA/DFT/XRD. Journal of Molecular Structure 1247, pages 131420.
Crossref
Crossref
A. Saral, P. Sudha, S. Muthu & Ahmad Irfan. (2022) Computational, spectroscopic and molecular docking investigation on a bioactive anti-cancer drug: 2-Methyl-8-nitro quinoline. Journal of Molecular Structure 1247, pages 131414.
Crossref
Crossref
Noudjoud Houas, Salah Chafaa, Nadjib Chafai, Samira Ghedjati, Meriem Djenane & Siham Kitouni. (2022) Synthesis, characterization, DFT study and antioxidant activity of (2-hydroxynaphthalen-1-yl) methyl 2-hydroxyphenyl amino phosphonic acid. Journal of Molecular Structure 1247, pages 131322.
Crossref
Crossref
M. Habib Rahuman, S. Muthu, M. Malar Wezhli, Julie Charles & H. Umamahesvari. (2022) Vibrational (FT-IR, FT Raman), electronic and docking studies and wave function analysis with quantum chemical computation on 3-Bromophenyl acetic acid: A potential amidase inhibitor. Materials Today: Proceedings 50, pages 2853-2864.
Crossref
Crossref
S. Muthu, S. Aayisha, M. Suresh, A. Thamarai, R. Raj Muhamed & M. Raja. (2022) Synthesis, spectroscopic elucidation (FT-IR, FT-Raman, UV–Vis), electronic properties and biological activities (antimicrobial, docking) of semicarbazide derivative. Materials Today: Proceedings 50, pages 2847-2852.
Crossref
Crossref
L. Antony Selvam, S. Prathap, S. Muthu, N. Balamurugan & M. Victor Antony Raj. (2022) Density functional theory analysis of an organic compound 2-amino-5-chloro-3-nitropyridine. Materials Today: Proceedings 50, pages 2760-2763.
Crossref
Crossref
Soundararajan Krishnan, Thanigaimani Kaliyaperumal, Ramalingam Marimuthu & Sethuraman Velusamy. (2021) Crystal structure, Hirshfeld surface, and DFT studies of 4-((pyrrolidin-1-ylsulfonyl)methyl)aniline. European Journal of Chemistry 12:4, pages 419-431.
Crossref
Crossref
Manjunatha B, Yadav D. Bodke, Nagaraja O, Lohith T. N, Nagaraju G & Sridhar MA. (2021) Coumarin-Benzothiazole Based Azo Dyes: Synthesis, Characterization, Computational, Photophysical and Biological Studies. Journal of Molecular Structure 1246, pages 131170.
Crossref
Crossref
Nangamso Nathaniel Nyangiwe & Cecil Naphtaly Moro Ouma. (2021) Competitive and multiple adsorption of humic and fulvic acids on spherical silver and gold engineered nanoparticles in aqueous media: A first-principles study. Environmental Nanotechnology, Monitoring & Management 16, pages 100586.
Crossref
Crossref
M. A. Deyab & Q. Mohsen. (2021) Corrosion mitigation in desalination plants by ammonium-based ionic liquid. Scientific Reports 11:1.
Crossref
Crossref
Manjunatha B, Yadav D. Bodke, Sandeep kumar Jain R, Lohith T. N & Sridhar M. A. (2021) Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies. Journal of Molecular Structure 1244, pages 130933.
Crossref
Crossref
S. Selvakumari, C. Venkataraju, S. Muthu, Ahmad Irfan & A. Saral. (2021) Evaluation of electronic properties in different solvents, spectroscopic exposition (FT-IR, FT-Raman), and molecular docking studies of 5-Chloro-2-hydroxypyridine - insulysin inhibitor. Journal of Molecular Liquids 341, pages 117304.
Crossref
Crossref
P.M. Fasila, Ameen Rahana & A.R. Biju. (2021) Theoretical investigation of energetic performance and impact sensitivities of nitro and trinitromethyl substituted ozonides of ethylene and cyclopentene. Computational and Theoretical Chemistry 1205, pages 113425.
Crossref
Crossref
Behnaz Hamrahi, Ali Khanlarkhani, Seyed Morteza Madani, Arash Fattah-alhosseini & Seyed Omid Gashti. (2020) Evaluation of Henna Extract Performance on Corrosion Inhibition of API 5L Steel in H2S-Containing Medium and DFT Quantum Computing of Its Constituents. Metals and Materials International 27:11, pages 4463-4476.
Crossref
Crossref
Reenu & Vikas. 2021. Chemometrics and Cheminformatics in Aquatic Toxicology. Chemometrics and Cheminformatics in Aquatic Toxicology
319
329
.
Iswarya Santhakumaran, Radhakrishnan Narayanaswamy & Gnanamani Arumugam. (2021) Bioinformatic insights into the biochemical efficacy of a fungal metabolite: asperyellone. New Journal of Chemistry 45:38, pages 17941-17950.
Crossref
Crossref
A. Jeelani, S. Muthu & B. Narayana. (2021) Molecular structure determination, Bioactivity score, Spectroscopic and Quantum computational studies on (E)-N'-(4-Chlorobenzylidene)-2-(napthalen-2-yloxy) acetohydrazide. Journal of Molecular Structure 1241, pages 130558.
Crossref
Crossref
Kadir Erturk, Seref Isik, Omur Aras & Yunus Kaya. (2021) Investigation of structural, spectral, optical and nonlinear optical properties of nanocrystal CdS: Electrodeposition and quantum mechanical studies. Optik 243, pages 167469.
Crossref
Crossref
Intissar Hamdi, Noureddine Mhadhbi, Noureddine Issaoui, Andreas Roodt, Mark M. Turnbull & Houcine Naϊli. (2021) Design, synthesis and physico-chemical studies of a Co(II)/Co(III) mixed-valence complex: An experimental and DFT approach. Journal of Molecular Structure 1237, pages 130384.
Crossref
Crossref
F. Odame, Eric C. Hosten, R. Betz, J. Krause, Carminita L. Frost, K. Lobb & Zenixole R. Tshentu. (2021) Synthesis, characterization, computational studies and DPPH scavenging activity of some triazatetracyclic derivatives. Journal of the Iranian Chemical Society 18:8, pages 1979-1995.
Crossref
Crossref
Akpovwehwee A. Anigboro, Oghenetega J. Avwioroko, Onoriode Akeghware & Nyerhovwo J. Tonukari. (2021) Anti-obesity, antioxidant and in silico evaluation of Justicia carnea bioactive compounds as potential inhibitors of an enzyme linked with obesity: Insights from kinetics, semi-empirical quantum mechanics and molecular docking analysis. Biophysical Chemistry 274, pages 106607.
Crossref
Crossref
K. Srishailam, K. Ramaiah, K. Laxma Reddy, B. Venkatram Reddy & G. Ramana Rao. (2021) Synthesis and evaluation of molecular structure from torsional scans, study of molecular characteristics using spectroscopic and DFT methods of some thiosemicarbazones, and investigation of their anticancer activity. Chemical Papers 75:7, pages 3635-3647.
Crossref
Crossref
V. Velmurugan, R. Nandini Asha, B. Ravindran Durai Nayagam, S. Kumaresan & N. Bhuvanesh. (2020) Synthesis, Characterization and Biological Activity of (Phenylthio)Acetic Acid:Theophylline Cocrystal. Journal of Chemical Crystallography 51:2, pages 225-234.
Crossref
Crossref
Ramaiah Konakanchi, Geetha Swarupa Pamidimalla, Jyothi Prashanth, Togati Naveen & Laxma Reddy Kotha. (2021) Structural elucidation, theoretical investigation, biological screening and molecular docking studies of metal(II) complexes of NN donor ligand derived from 4-(2-aminopyridin-3-methylene)aminobenzoic acid. BioMetals 34:3, pages 529-556.
Crossref
Crossref
Manoj Kumar Chaudhary, Preeti Prajapati, Karnica Srivastava, Keilla Façanha Silva, Bhawani Datt Joshi, Poonam Tandon & Alejandro Pedro Ayala. (2021) Molecular interactions and vibrational properties of ricobendazole: Insights from quantum chemical calculation and spectroscopic methods. Journal of Molecular Structure 1230, pages 129889.
Crossref
Crossref
M. Govindammal, M. Prasath, S. Kamaraj, S. Muthu & M. Selvapandiyan. (2021) Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake inhibitor. Heliyon 7:4, pages e06646.
Crossref
Crossref
S. Sharmila Tagore, J. Swaminathan, D. Manikandan, S. Gomathi, N. Sabarinathan, M. Ramalingam & V. Sethuraman. (2021) Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine. Heliyon 7:4, pages e06593.
Crossref
Crossref
G. Parvathy, R. Kaliammal, K. Velsankar, G. Vinitha, K. Sankaranarayanan, R. Mohan Kumar & S. Sudhahar. (2021) Piperazinium bis (5-chlorosalicylate) – A new third order nonlinear optical single crystal. Journal of Molecular Structure 1228, pages 129728.
Crossref
Crossref
Dorien Verdoodt, Sander Eens, Debby Van Dam, Peter Paul De Deyn, Olivier M. Vanderveken, Krystyna Szewczyk, Vera Saldien, Peter Ponsaerts & Vincent Van Rompaey. (2021) Effect of Oral Allylnitrile Administration on Cochlear Functioning in Mice Following Comparison of Different Anesthetics for Hearing Assessment. Frontiers in Toxicology 3.
Crossref
Crossref
Hela Ferjani, Hammouda Chebbi & Mohammed Fettouhi. (2021) One-Dimensional Organic–Inorganic Material (C6H9N2)2BiCl5: From Synthesis to Structural, Spectroscopic, and Electronic Characterizations. International Journal of Molecular Sciences 22:4, pages 2030.
Crossref
Crossref
Zakaria Anfar, Abdellah Ait El Fakir, Mohamed Zbair, Zakaria Hafidi, Abdallah Amedlous, Mohammed Majdoub, Salaheddine Farsad, Asma Amjlef, Amane Jada & Noureddine El Alem. (2021) New functionalization approach synthesis of Sulfur doped, Nitrogen doped and Co-doped porous carbon: Superior metal-free Carbocatalyst for the catalytic oxidation of aqueous organics pollutants. Chemical Engineering Journal 405, pages 126660.
Crossref
Crossref
J. Irshad Ahamed, Mariamichael F. Valan, Kamalarajan Pandurengan, Paul Agastian, Babu Venkatadri, Marimuthu R. Rameshkumar & Kandaswamy Narendran. (2020) A novel method for the synthesis and characterization of 10-hexyl-3-(1-hexyl-4, 5-diphenyl-1H-imidazol-2-yl)-10H-phenothiazine: DFT computational, in vitro anticancer and in silico molecular docking studies. Research on Chemical Intermediates 47:2, pages 759-794.
Crossref
Crossref
Muhammad Ashfaq, Georgii Bogdanov, Viktor Glebov, Akbar Ali, Muhammad Nawaz Tahir & Safia Abdullah. (2021) Single crystal investigation, Hirshfeld surface analysis and DFT exploration of the pyrimethamine-based novel organic salt: 2, 4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 3-carboxybenzoate hydrate (1:1:1). Journal of Molecular Structure 1224, pages 129309.
Crossref
Crossref
Arul Murugesan, Thishana Singh, Ramar Rajamanikandan, Madhan Vinu, Malaichamy Ilanchelian, Chia-Her Lin & Robert Moonsamy Gengan. (2021) Synthesis, spectroscopic, DFT, HSA binding and docking studies of new 1,5-bis(4-chlorophenyl)-3-(2-(4-methylpiperazin-1-yl)quinolin-3-yl)pentane-1,5-dione. Journal of Molecular Structure 1223, pages 129260.
Crossref
Crossref
Fan Qi, Jirong Song & Jie Huang. (2021) Synthesis, spectral characteristics, weak interactions, electronic properties and biological activity of (E)-1-(4-hydroxybenzylidene)-4-(3-isopropylphenyl)thiosemicarbazone: An experimental and theoretical approach. Journal of Molecular Structure 1224, pages 129044.
Crossref
Crossref
Ashok Kumar Mishra, Satya Prakash Tewari & Vimlesh Gupta. (2021) Exploring multidimensional applications of natural bioactive molecule isodihydrocadambine-4-oxide: DFT approach. Materials Today: Proceedings 34, pages 771-779.
Crossref
Crossref
Monir Uzzaman, Md. Kamrul Hasan, Shafi Mahmud, Abu Yousuf, Saidul Islam, Mohammad Nasir Uddin & Ayan Barua. (2021) Physicochemical, spectral, molecular docking and ADMET studies of Bisphenol analogues; A computational approach. Informatics in Medicine Unlocked 25, pages 100706.
Crossref
Crossref
Tugba GÖCEN & Mehmet Haluk GÜVEN. (2020) Palmitoleik Asidin Moleküler Yapısı, Titreşim Spektrumları ve Elektronik Özelliklerinin Teorik Olarak İncelenmesiThe Theoretical Investigation of Molecular Structure, Vibrational Spectra and Electronic Properties of Palmitoleic Acid. Bilecik Şeyh Edebali Üniversitesi Fen Bilimleri Dergisi 7:2, pages 553-573.
Crossref
Crossref
Chafia Ait-Ramdane-Terbouche, Hasnia Abdeldjebar, Achour Terbouche, Houria Lakhdari, Khaldoun Bachari, Thierry Roisnel & Didier Hauchard. (2020) Crystal structure, chemical reactivity, kinetic and thermodynamic studies of new ligand derived from 4-hydroxycoumarin: Interaction with SARS-CoV-2. Journal of Molecular Structure 1222, pages 128918.
Crossref
Crossref
V.S. Aparna, P. Muthuraja, T. Shanmugavadivu, M. Sethuram & M. Dhandapani. (2020) Supramolecularassemblies through hydrogen bonding and Br…Onitro interactions in 4-bromoanilinium 2,4-dinitrobenzoate crystals. Journal of Molecular Structure 1221, pages 128788.
Crossref
Crossref
Rabia Basri, Muhammad Khalid, Zahid Shafiq, Muhammad Suleman Tahir, Muhammad Usman Khan, Muhammad Nawaz Tahir, Muhammad Moazzam Naseer & Ataualpa Albert Carmo Braga. (2020) Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis. ACS Omega 5:46, pages 30176-30188.
Crossref
Crossref
K. Arulaabaranam, S. Muthu, G. Mani & S. Sevvanthi. (2020) Quantum mechanical computation, spectroscopic exploration and molecular docking analysis of 2-Bromo-4-fluoroacetanilide. Journal of Molecular Structure 1220, pages 128639.
Crossref
Crossref
Xuemei Ma, Jingbao Wang, Siyuan Yu, Xiaojie Chen, Jun Li, Hailin Zhu & Zhiyong Hu. (2020) Synthesis, experimental and theoretical studies of triazine derivatives with surface activity as effective corrosion inhibitors for medium carbon steel in acid medium. Journal of Molecular Liquids 315, pages 113711.
Crossref
Crossref
Mohd. Sajid Ali, Jayaraman Muthukumaran & Hamad A. Al-Lohedan. (2020) Molecular interactions of ceftazidime with bovine serum albumin: Spectroscopic, molecular docking, and DFT analyses. Journal of Molecular Liquids 313, pages 113490.
Crossref
Crossref
Rachid Hajji, Sawssen Hajji, Ali Ben Ahmed, Moncef Nasri & Faouzi Hlel. (2020) Synthesis, physical characterization, thermal studies, biological activities and DFT computations on the molecular structure and vibrational spectra of [C7H12N2]2Bi2Br10·4H2O compound. Journal of Solid State Chemistry 288, pages 121402.
Crossref
Crossref
M. Govindammal & M. Prasath. (2020) Vibrational spectra, Hirshfeld surface analysis, molecular docking studies of (RS)-N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide by DFT approach. Heliyon 6:8, pages e04641.
Crossref
Crossref
Ezhumalai Dhineshkumar, Mathivanan Iyappan & Chinnadurai Anbuselvan. (2020) A novel dual chemosensor for selective heavy metal ions Al3+, Cr3+ and its applicable cytotoxic activity, HepG2 living cell images and theoretical studies. Journal of Molecular Structure 1210, pages 128033.
Crossref
Crossref
Ashok Kumar Mishra & Satya Prakash Tewari. (2020) Density functional theory calculations of spectral, NLO, reactivity, NBO properties and docking study of Vincosamide-N-Oxide active against lung cancer cell lines H1299. SN Applied Sciences 2:6.
Crossref
Crossref
Yacine Allab, Sabah Chikhi, Sihem Zaater, Meziane Brahimi & Safia Djebbar. (2020) Impact of the functionalized tetrazole ring on the electrochemical behavior and biological activities of novel nickel (II) complexes with a series of tetrazole derivatives. Inorganica Chimica Acta 504, pages 119436.
Crossref
Crossref
Zakaria Hafidi, Mohamed Ait Taleb, Abdallah Amedlous & Mohammed El Achouri. (2019) Micellar Catalysis Strategy of Cross-Condensation Reaction: The Effect of Polar Heads on the Catalytic Properties of Aminoalcohol-Based Surfactants. Catalysis Letters 150:5, pages 1309-1324.
Crossref
Crossref
Serap Uzun, Zeynep Demircioğlu, Mahmut Taşdoğan & Erbil Ağar. (2020) Quantum chemical and X-ray diffraction studies of (E)-3-(((3,4-dimethoxybenzyl)imino)methyl)benzene-1,2-diol. Journal of Molecular Structure 1206, pages 127749.
Crossref
Crossref
Ouahiba Moumeni, Salah Chafaa, Rachida Kerkour, Khalissa Benbouguerra & Nadjib Chafai. (2020) Synthesis, structural and anticorrosion properties of diethyl (phenylamino) methyl) phosphonate derivatives: Experimental and theoretical study. Journal of Molecular Structure 1206, pages 127693.
Crossref
Crossref
Rinnu Sara Saji, Johanan Christian Prasana, S. Muthu, Jacob George, Tintu K. Kuruvilla & B.R. Raajaraman. (2020) Spectroscopic and quantum computational study on naproxen sodium. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 226, pages 117614.
Crossref
Crossref
A. Thamarai, R. Vadamalar, M. Raja, S. Muthu, B. Narayana, P. Ramesh, R. Raj Muhamed, S. Sevvanthi & S. Aayisha. (2020) Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approach. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 226, pages 117609.
Crossref
Crossref
A. Thamarai, R. Vadamalar, M. Raja, S. Muthu, B. Narayana, P. Ramesh, S. Sevvanthi & S. Aayisha. (2020) Molecular structure conformational analyses, solvent-electronic studies through theoretical studies and biological profiling of (2E)-1-(3-bromo-2-thienyl)-3-(4-chlorophenyl)-prop-2-en-1-one. Journal of Molecular Structure 1202, pages 127349.
Crossref
Crossref
J. Irshad Ahamed, M. Priya, P. Vinothkumar, K. Sathyamoorthy, P. MuraliManohar, Jinghe Liu & M.F. Valan. (2020) A combined experimental and DFT computations study of novel (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl)acrylonitrile(TACNBNF): Insight into the synthesis, single crystal XRD, NMR, vibrational spectral analysis, in vitro antioxidant and in silico molecular docking investigation with human peroxiredoxin 5 protein. Journal of Molecular Structure 1202, pages 127241.
Crossref
Crossref
C.C. Fonkem, G.W. Ejuh, F. Tchangnwa Nya, R.A. Yossa Kamsi, Y. Tadjouteu Assatse & J.M.B. Ndjaka. (2020) A density functional theory (DFT) study of the doping effect on 2-cyano-3- [4 (diphenylamino) phenyl] acrylic acid. Chinese Journal of Physics 63, pages 207-212.
Crossref
Crossref
Mallikarjuna Niluvanji Matada, Keshavayya Jathi, Pandurangappa Malingappa & Itte Pushpavathi. (2020) Synthesis, spectroscopic, DFT and electrochemical studies of heterocyclic azo dyes derived from 1-{[(E)-benzylideneamino](phenyl) methyl} naphthalen-2-ol. Chemical Data Collections 25, pages 100314.
Crossref
Crossref
Mamoun S. M. Abd El-Kareem, Mohamed A. Rabbih, Hosam O. Elansary & Fahed A. Al-Mana. (2020) Mass Spectral Fragmentation of Pelargonium graveolens Essential Oil Using GC–MS Semi-Empirical Calculations and Biological Potential. Processes 8:2, pages 128.
Crossref
Crossref
Elaheh Pousaneh, Somayeh Sadighian, Rahman Bikas, Hassan Hosseini-Monfared, Ahmad Sousaraei, Milosz Siczek & Tadeusz Lis. (2020) One-pot synthesis, crystal structure and theoretical calculations of a dinuclear Mn(III) complex with in-situ generated O,N,O- and O,N-donor dichelating hydrazone ligand. Journal of Molecular Structure 1199, pages 127023.
Crossref
Crossref
Ashok Kumar Mishra & Vimlesh Gupta. (2020) Quantum chemical computations of electronic properties and drug activity of a naturally occurring dihydrocadambine biomolecule. Materials Today: Proceedings 29, pages 905-910.
Crossref
Crossref
Ashok Kumar Mishra & Vimlesh Gupta. (2020) Density functional theory analysis of electronic properties correlated with the biological activities of naturally occurring biomolecular system: Isodihydrocadambine. Materials Today: Proceedings 29, pages 993-998.
Crossref
Crossref
Zeenat Afsan, Thierry Roisnel, Sartaj Tabassum & Farukh Arjmand. (2020) Structure elucidation {spectroscopic, single crystal X-ray diffraction and computational DFT studies} of new tailored benzenesulfonamide derived Schiff base copper(II) intercalating complexes: Comprehensive biological profile {DNA binding, pBR322 DNA cleavage, Topo I inhibition and cytotoxic activity}. Bioorganic Chemistry 94, pages 103427.
Crossref
Crossref
Xuemei Ma, Jingbao Wang, Jingjing Xu, Jing Jing, Jun Li, Hailin Zhu, Siyuan Yu & Zhiyong Hu. (2019) Sunflower Head Pectin with Different Molecular Weights as Promising Green Corrosion Inhibitors of Carbon Steel in Hydrochloric Acid Solution. ACS Omega 4:25, pages 21148-21160.
Crossref
Crossref
Ashok Kumar Mishra & Satya Prakash Tewari. (2019) Structure, spectra and bioactivity of pentyl ester of chlorogenic acid: DFT study. Emerging Materials Research 8:4, pages 651-662.
Crossref
Crossref
Haiyan Wang, Shun Yao, Qian Liu, Kun Wang, Haizhu Yu, Xiaojiao Zhu, Lin Kong & Hongping Zhou. (2019) Theoretical exploration for recognition mechanism of two similar coumarin-based probes on Hg2+ and Cu2+. Journal of Molecular Structure 1198, pages 126870.
Crossref
Crossref
Zeynep TURHAN İRAK & Mehmet POYRAZ. (2019) [Ni(2-Benzimidazol-il-üre)2(etanol)2][NO3]2 Bileşiğinin Yoğunluk Fonksiyoneli Teorisi Kullanılarak Yapılan Bazı Kuantum Kimyasal Hesaplamaları. Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi, pages 203-212.
Crossref
Crossref
P. Ramesh, M. Lydia Caroline, S. Muthu, B. Narayana, M. Raja & A.S. Ben Geoffrey. (2019) Spectroscopic, chemical reactivity, molecular docking investigation and QSAR analyses of (2E)‑1‑(3‑bromo‑2‑thienyl)‑3‑(2,5‑dimethoxyphenyl)prop‑2‑en‑1‑one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 222, pages 117190.
Crossref
Crossref
B. Amul, S. Muthu, M. Raja & S. Sevvanthi. (2019) Spectral, DFT and molecular docking investigations on Etodolac. Journal of Molecular Structure 1195, pages 747-761.
Crossref
Crossref
M. Manikandan, P. Rajesh & P. Ramasamy. (2019) Crystal growth, structural, optical, vibrational analysis, Hirshfeld surface and quantum chemical calculations of 1, 3, 5-triphenylbenzene single crystal. Journal of Molecular Structure 1195, pages 659-669.
Crossref
Crossref
D. Ramarajan, K. Tamilarasan, D. Milenković, Z. Marković, S. Sudha & P. Subhapriya. (2019) Experimental and theoretical investigations of an organic nonlinear optical material p-toluidinium picrate – A comparative study. Journal of Molecular Structure 1195, pages 73-84.
Crossref
Crossref
Jéssica V. Nardeli, Cecilio S. Fugivara, Maryna Taryba, Elaine R.P. Pinto, M.F. Montemor & Assis V. Benedetti. (2019) Tannin: A natural corrosion inhibitor for aluminum alloys. Progress in Organic Coatings 135, pages 368-381.
Crossref
Crossref
Harjinder Singh. (2019) A DFT approach for theoretical and experimental study of structure, electronic, Hirshfeld surface and spectroscopic properties of 12-(4-bromophenyl)-2-(prop-2-ynyloxy)-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-on single crystal. Chemical Physics 524, pages 1-13.
Crossref
Crossref
Tuğba Alp Tokat, Burçin Türkmenoğlu, Yahya Güzel & Dilek Şeyma Kızılcan. (2019) Investigation of 3D pharmacophore of N-benzyl benzamide molecules of melanogenesis inhibitors using a new descriptor Klopman index: uncertainties in model. Journal of Molecular Modeling 25:8.
Crossref
Crossref
U. Muhammed Rafi, D. Mahendiran, R. Senthil Kumar & A. Kalilur Rahiman. (2019)
In vitro
anti‐proliferative and
in silico
docking studies of heteroleptic copper(II) complexes of pyridazine‐based ligands and ciprofloxacin
. Applied Organometallic Chemistry 33:7.
Crossref
Crossref
Asli A. Kaya & Kadir Erturk. (2019) Structural, spectral and optical properties of rocksalt Al,Mn-doped CdO: experimental and DFT studies. The European Physical Journal B 92:6.
Crossref
Crossref
A. Soltani, R. Mashkoor, A. D. Khalaji, S. G. Raz, S. H. Ghoran, M. Dusek, K. Fejfarova & Y. Kanani. (2019) Synthesis, Characterization, Crystal Structure, and DFT Study of 4-Bromo-2-(4,6-Dichloro-Phenylimino)-Phenol. Journal of Structural Chemistry 60:6, pages 890-897.
Crossref
Crossref
KATTAESWAR SRIKANTH, RAMAIAH KONAKANCHI & JYOTHI PRASHANTH. (2019) A Combined Experimental (FT-IR) and Computational Studies of 9-Chloroanthracene. Asian Journal of Chemistry 31:6, pages 1332-1342.
Crossref
Crossref
K. Ramaiah, K. Srishailam, K. Laxma Reddy, B. Venkatram Reddy & G. Ramana Rao. (2019) Synthesis, crystal and molecular structure, and characterization of 2-((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide using spectroscopic (1H and 13C NMR, FT-IR, FT-Raman, UV–Vis) and DFT methods and evaluation of its anticancer activity. Journal of Molecular Structure 1184, pages 405-417.
Crossref
Crossref
Rachid Hajji, Mohamed Amine Fersi, Sawssen Hajji, Faouzi Hlel & Ali Ben Ahmed. (2019) Hirshfeld surface analysis, vibrational spectra, optical, DFT studies and biological activities of (C7H12N2)2[SnCl6]Cl2·1.5H2O compound. Chemical Physics Letters 722, pages 160-172.
Crossref
Crossref
Rohini Gandhaveeti, Ramaiah Konakanchi, Prashanth Jyothi, Nattami S. P. Bhuvanesh & Sreekanth Anandaram. (2019) Unusual coordination mode of aroyl/acyl thiourea ligands and their π‐arene ruthenium (II) piano‐stool complexes: Synthesis, molecular geometry, theoretical studies and biological applications. Applied Organometallic Chemistry 33:5.
Crossref
Crossref
Erhan ÖZTÜRK, Zeynep TURHAN IRAK & Selçuk GÜMÜŞ. (2019) (E)-2-((Fenilimino)metil) Fenol Molekülünün Teorik Olarak İncelenmesiTheoretical Investigation of (E)-2-((Phenylimino)methyl)phenol Molecules. Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi 9:1, pages 407-414.
Crossref
Crossref
Yunusa Umar, Nedal Abu-Thabit, Paul Jerabek & Ponnadurai Ramasami. (2019) Experimental FTIR and theoretical investigation of the molecular structure and vibrational spectra of acetanilide using DFT and dispersion correction to DFT. Journal of Theoretical and Computational Chemistry 18:02, pages 1950009.
Crossref
Crossref
Asmaa DidaouiKadda AmaraMostefa ZemouliNadia BenhalimaMohammed Elkeurti. (2019)
Etude de la structure moléculaire, la polarisabilité, l’hyper-polarisabilité et l’analyse HOMO–LUMO des structures monomères et dimères du N-(3-méthylphényl)-2-nitrobenzènesulfonamide C
13
H
12
N
2
O
4
S
. Canadian Journal of Physics 97:3, pages 297-307.
Crossref
Crossref
S. Veeramanikandan, H. Benita Sherine, A. Dhandapani & S. Subashchandrabose. (2019) Synthesis, solid state structure, Hirshfeld surface, nonlinear optics and DFT studies on novel bischalcone derivative. Journal of Molecular Structure 1180, pages 798-811.
Crossref
Crossref
Abdurrahman Atalay, Fatih Çelik, Yasemin Ünver, Kemal Sancak & Kamil Kaygusuz. (2019) Molecular Conformational Analysis, Spectroscopic Characterization, Intramolecular Hydrogen Bonding and Natural Bond Analysis of (E,Z)-2-(4- Amino-5-oxo-3-(thiophene-2-ylmethyl)-4,5-dihydro-1,2,4-triazole-1-yl)-N'- (thiophene-2-ylmethylene) Acetohydrazide. Letters in Organic Chemistry 16:3, pages 215-225.
Crossref
Crossref
Y. Umar, J. Tijani & S. Abdalla. (2019) Conformational Stabilities, Rotational Barriers, and Vibrational Spectra of 2-Pyrrolecarboxaldehyde and 3-Pyrrolecarboxaldehyde Calculated Using Density Functional Theory. Journal of Structural Chemistry 60:2, pages 186-197.
Crossref
Crossref
Helda Malarkodi Jesudoss, Murugavel Saminathan, Rosaline Ezhilarasi Jesudoss, Dinesh Murugan & Ponnuswamy Alagusundaram. (2018) Crystal Structure, Spectral, Electronic, NLO Studies, and Bioactivity of 3′-(1-Benzyl-5-Methyl-1H-1,2,3-Triazole-4-Carbonyl)-4′-(4-Bromophenyl)-1′-Methyl-2H-Spiro [Acenaphthylene-1,2′-Pyrrolidine]-2-One. Brazilian Journal of Physics 49:1, pages 28-43.
Crossref
Crossref
Jesudoss Helda Malarkodi, Saminathan Murugavel, Jesudoss Rosaline Ezhilarasi, Murugan Dinesh & Alagusundaram Ponnuswamy. (2018)
Structure investigation, spectral characterization, electronic properties, and antimicrobial and molecular docking studies of 3′‐(1‐benzyl‐5‐methyl‐1
H
‐1,2,3‐triazole‐4‐carbonyl)‐1′‐methyl‐4′‐phenyl‐2
H
‐spiro[acenaphthylene‐1,2′‐pyrrolidine]‐2‐one
. Journal of the Chinese Chemical Society 66:2, pages 205-217.
Crossref
Crossref
F. Odame, E. Hosten, R. Betz, K. Lobb & Z. Tshentu. (2019) Characterization and Computational Studies of 2-(Benzamido)Thiazol-5-yl Benzoate. Journal of Structural Chemistry 60:1, pages 136-142.
Crossref
Crossref
S. Murugavel, C. Ravikumar, G. Jaabil & Ponnusamy Alagusundaram. (2019) Synthesis, crystal structure analysis, spectral investigations (NMR, FT-IR, UV), DFT calculations, ADMET studies, molecular docking and anticancer activity of 2-(1-benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-4-(2-chlorophenyl)-6-methoxypyridine – A novel potent human topoisomerase IIα inhibitor. Journal of Molecular Structure 1176, pages 729-742.
Crossref
Crossref
Farasha Sama, Mukul Raizada, Mo Ashafaq, M. Naqi Ahamad, I. Mantasha, Khushboo Iman, M. Shahid, Rahisuddin, Rizwan Arif, Naseer A. Shah & Hatem A.M. Saleh. (2019) Synthesis, structure and DNA binding properties of a homodinuclear Cu(II) complex: An experimental and theoretical approach. Journal of Molecular Structure 1176, pages 283-289.
Crossref
Crossref
P. Rajender Reddy, J. Prashanth, B. Prasanna & B. Venkatram Reddy. (2019) Synthesis, spectroscopic, and DFT quantum chemical studies of 3- and 4-pyridylacetonitriles. Journal of Molecular Structure 1176, pages 447-460.
Crossref
Crossref
Tintu K. Kuruvilla, S. Muthu, Johanan Christian Prasana, Jacob George & S. Sevvanthi. (2019) Spectroscopic (FT-IR, FT-Raman), quantum mechanical and docking studies on methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl]amine. Journal of Molecular Structure 1175, pages 163-174.
Crossref
Crossref
Shweta, Eram Khan, Preeti Prajapati, Poonam Tandon, Purnima Bharti, Padam Kumar & Rakesh Maurya. (2019) Structural reactivity analyses of a neoflavonoid 4-methoxydalbergione using vibrational spectroscopy and quantum chemical calculations. Journal of Molecular Structure 1175, pages 28-38.
Crossref
Crossref
Ashok Kumar Mishra & Satya Prakash Tewari. (2019) 7-Hydroxy-6-Methoxy-Coumarian to be a Multifunctional Bioactive Natural molecule: A Theoretical Study. Materials Today: Proceedings 15, pages 400-408.
Crossref
Crossref
Monika Saini, Reetu Sangwan, Mohammad Faheem Khan, Ashok Kumar, Ruchi Verma & Sudha Jain. (2019) Specioside (SS) & verminoside (VS) (Iridoid glycosides): isolation, characterization and comparable quantum chemical studies using density functional theory (DFT). Heliyon 5:1, pages e01118.
Crossref
Crossref
Rayees A. Bhat, D. Kumar, Aftab Alam, Bilal A. Mir, Anurag Srivastava, Manzoor A. Malla & Muzzaffar A. Mir. (2018) Synthesis, characterization, thermal and DFT studies of S-methyl-β-N-(3-(2-nitrophenyl)allylidene)dithiocarbazate as anti-bacterial agent. Journal of Molecular Structure 1173, pages 72-80.
Crossref
Crossref
Monu Joy, Bijo Mathew & C. Sudarsanakumar. (2018) Structural features of Safinamide: A combined Hirshfeld surface analysis & quantum chemical treatment. Chemical Data Collections 17-18, pages 404-414.
Crossref
Crossref
S. M. Elsaeed, El Sayed H. El Tamany, H. Ashour, E. G. Zaki, E. A. Khamis & H. A. El Nagy. (2018) Corrosion and hydrogen evolution rate control for X-65 carbon steel based on chitosan polymeric ionic liquids: experimental and quantum chemical studies. RSC Advances 8:66, pages 37891-37904.
Crossref
Crossref
Jacob George, Johanan Christian Prasana, S. Muthu, Tintu K. Kuruvilla, S. Sevanthi & Rinnu Sara Saji. (2018) Spectroscopic (FT-IR, FT Raman) and quantum mechanical study on N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide. Journal of Molecular Structure 1171, pages 268-278.
Crossref
Crossref
F. Odame, E. C. Hosten, R. Betz, K. Lobb & Z. R. Tshentu. (2018) Characterization and Computational Studies of a co-Crystal of 2-Aminobenzimidazole and 2-[(Benzoylcarbamothioyl)Amino]Propanoic Acid. Journal of Structural Chemistry 59:5, pages 1200-1204.
Crossref
Crossref
V. Kannan, K. Sreekumar & Rajeev T. Ulahannan. (2018) Quantum chemical studies on 4-(2, 6-diphenylpyridin-4-yl) phenol: An electron transport and nonlinear optical molecule. Journal of Molecular Structure 1166, pages 315-320.
Crossref
Crossref
Rayees A. Bhat, D. Kumar, Anurag Srivastava, Bilal A. Mir, Manzoor A. Malla, Muzzaffar A. Bhat & Muzzaffar A. Mir. (2018)
Experimental, DFT Studies and Biological Evaluation of
S-
methyl-
β
-
N
-(3-(2-nitrophenyl)allylidene)dithiocarbazate
. ChemistrySelect 3:25, pages 7363-7369.
Crossref
Crossref
Mohammad Usman, Sartaj Tabassum, Farukh Arjmand, Rais Ahmad Khan, Mohd. Sajid Ali, Hamad A. Al-Lohedan, Ali Alsalme, Mohammad Abul Farah, Khalid Mashay Al-Anazi & Musheer Ahmad. (2018) Cu II -Na I heteronuclear complex as anticancer entity against human breast cancer cell lines: DNA binding, cleavage, and Computational studies. Inorganica Chimica Acta 479, pages 229-239.
Crossref
Crossref
M. Arockia doss, G. Rajarajan, V. Thanikachalam, S. Selvanayagam & B. Sridhar. (2018) Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV–vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates. Journal of Molecular Structure 1158, pages 277-285.
Crossref
Crossref
Mandeep Kour, Sandeep Kumar, Ahmed Feddag, Savit Andotra, Abdelkader Chouaih, Vivek K. Gupta, Rajni Kant & Sushil K. Pandey. (2018) Synthesis, characterization, single crystal X-ray and DFT analysis of disubstituted phosphorodithioates. Journal of Molecular Structure 1157, pages 708-715.
Crossref
Crossref
Asli A. Kaya & Kadir Erturk. (2018) Structural and optical properties of Fe/Ni:ZnO nanoparticles: experimental and DFT studies. Applied Physics A 124:4.
Crossref
Crossref
Hela Ferjani & Habib Boughzala. (2018) New Hybrid Material: (C3H6N3)4Bi2Cl10. Synthesis, Structural Study and Spectroscopic Behavior. Russian Journal of Inorganic Chemistry 63:3, pages 349-356.
Crossref
Crossref
Rayees A. Bhat, D. Kumar, Manzoor A. Malla, Sami U. Bhat, Md Shahzad Khan, Ovais Manzoor, Anurag Srivastava, Rawoof A. Naikoo, Mohd Mohsin & Muzzaffar A. Mir. (2018) Synthesis, characterization, computational studies and biological evaluation of S-benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)]dithiocarbazate. Journal of Molecular Structure 1156, pages 280-289.
Crossref
Crossref
B. Dede & G. Gorgulu. (2018) Spectroscopic Properties and Quantum Chemical Calculations of Novel Diimine Molecules and their Mononuclear Cu(II) Complexes. Acta Physica Polonica A 133:2, pages 256-262.
Crossref
Crossref
Tintu K. Kuruvilla, Johanan Christian Prasana, S. Muthu, Jacob George & Sheril Ann Mathew. (2018) Quantum mechanical and spectroscopic (FT-IR, FT-Raman) study, NBO analysis, HOMO-LUMO, first order hyperpolarizability and molecular docking study of methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine by density functional method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 188, pages 382-393.
Crossref
Crossref
Serge Bakire, Xinya Yang, Guangcai Ma, Xiaoxuan Wei, Haiying Yu, Jianrong Chen & Hongjun Lin. (2018) Developing predictive models for toxicity of organic chemicals to green algae based on mode of action. Chemosphere 190, pages 463-470.
Crossref
Crossref
S. Sevvanthi, S. Muthu & M. Raja. (2017) Quantum mechanical, spectroscopic studies and molecular docking analysis on 5,5-diphenylimidazolidine-2,4-dione. Journal of Molecular Structure 1149, pages 487-498.
Crossref
Crossref
P. Pavitha, J. Prashanth, G. Ramu, G. Ramesh, K. Mamatha & Byru Venkatram Reddy. (2017) Synthesis, structural, spectroscopic, anti-cancer and molecular docking studies on novel 2-[(Anthracene-9-ylmethylene)amino]-2-methylpropane-1,3-diol using XRD, FTIR, NMR, UV–Vis spectra and DFT. Journal of Molecular Structure 1147, pages 406-426.
Crossref
Crossref
ShwetaEram KhanPoonam TandonPurnima BhartiPadam KumarRakesh Maurya. (2017) Experimental and quantum chemical studies on the structure and vibrational spectra of cearoin (a neoflavonoid). Canadian Journal of Physics 95:10, pages 905-915.
Crossref
Crossref
Ashanul Haque, Ming-Fa Hsieh, Syed Imran Hassan, Md. Serajul Haque Faizi, Anannya Saha, Necmi Dege, Jahangir Ahmad Rather & Muhammad S. Khan. (2017) Synthesis, characterization, and pharmacological studies of ferrocene-1H-1,2,3-triazole hybrids. Journal of Molecular Structure 1146, pages 536-545.
Crossref
Crossref
Narayanaperumal Pravin, Ganesan Kumaravel, Raju Senthilkumar & Natarajan Raman. (2017)
Water-soluble Schiff base Cu(II) and Zn(II) complexes: Synthesis, DNA targeting ability and chemotherapeutic potential of Cu(II) complex for hepatocellular carcinoma -
in vitro
and
in vivo
approach
. Applied Organometallic Chemistry 31:10, pages e3739.
Crossref
Crossref
T. Chandra Shekhara Shetty, C.S. Chidan Kumar, K.N. Gagan Patel, Tze Shyang Chia, S.M. Dharmaprakash, Ponnadurai Ramasami, Yunusa Umar, Siddegowda Chandraju & Ching Kheng Quah. (2017) Optical nonlinearity of D-A-π-D and D-A-π-A type of new chalcones for potential applications in optical limiting and density functional theory studies. Journal of Molecular Structure 1143, pages 306-317.
Crossref
Crossref
Goutam Brahmachari, Avijit Mondal, Nayana Nayek, Abhishek Kumar, Ambrish Kumar Srivastava & Neeraj Misra. (2017) Experimental and quantum chemical studies on poriferasterol – A natural phytosterol isolated from Cassia sophera Linn. (Caesalpiniaceae). Journal of Molecular Structure 1143, pages 184-191.
Crossref
Crossref
E. Frimpong, A.A. Skelton & B. Honarparvar. (2017) DFT study of the interaction between DOTA chelator and competitive alkali metal ions. Journal of Molecular Graphics and Modelling 76, pages 70-76.
Crossref
Crossref
M. A. Migahed, M. M. EL-Rabiei, H. Nady, Amr. Elgendy, E. G. Zaki, M. I. Abdou & E. S. Noamy. (2017) Novel Ionic Liquid Compound Act as Sweet Corrosion Inhibitors for X-65 Carbon Tubing Steel: Experimental and Theoretical Studies. Journal of Bio- and Tribo-Corrosion 3:3.
Crossref
Crossref
Katarzyna Michalska, Ewa Gruba, Mikołaj Mizera, Kornelia Lewandowska, Elżbieta Bednarek, Wojciech Bocian & Judyta Cielecka-Piontek. (2017) Application of spectroscopic methods (FT-IR, Raman, ECD and NMR) in studies of identification and optical purity of radezolid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 183, pages 116-122.
Crossref
Crossref
M. Raja, R. Raj Muhamed, S. Muthu & M. Suresh. (2017) Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide. Journal of Molecular Structure 1141, pages 284-298.
Crossref
Crossref
Md. Mushtaque, Fernando Avecilla, Ashanul Haque, Ahmad Perwez, Md. Shahzad Khan & M. Moshahid Alam Rizvi. (2017) Experimental and theoretical studies of a pyrazole-thiazolidin-2,4-di-one hybrid. Journal of Molecular Structure 1141, pages 417-427.
Crossref
Crossref
S. Jayakumar, D. Mahendiran, Dilaveez Rehana & A. Kalilur Rahiman. (2017) Heteroleptic metal(II) complexes of hydrotris(methimazolyl)borate and diimines: Synthesis, theoretical calculations, antimicrobial, antioxidant, in vitro cytotoxicity and molecular docking studies. Microbial Pathogenesis 109, pages 120-130.
Crossref
Crossref
Displaying 200 of 407 citing articles. Use the download link below to view the full list of citing articles.
Download full citations list