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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 112, 2014 - Issue 12
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Research Article

A theoretical perspective of the nature of hydrogen-bond types – the atoms in molecules approach

B. Vijaya PandiyanDepartment of Physics, Bharathiar University, Coimbatore, India
,
P. KolandaivelDepartment of Physics, Bharathiar University, Coimbatore, IndiaCorrespondence[email protected]
&
P. DeepaDepartment of Computational Chemistry, Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic, Prague, Czech Republic
Pages 1609-1623 | Received 05 Jul 2013, Accepted 25 Sep 2013, Published online: 28 Oct 2013

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Hamid Reza Masoodi, Sotoodeh Bagheri, Alireza Gholipour, Masoud Rohani Moghadam & Alireza Bazmandegan-Shamili. (2022) DFT study of stability and electronic properties of cyclic tetramer involving dinucleobase monomers, comprising acetylene central block substituted at both edges with guanine and cytosine nucleobases. Molecular Physics 120:13.
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P. Deepa, D. Thirumeignanam & P. Kolandaivel. (2019) An overview about the impact of hinge region towards the anticancer binding affinity of the Ck2 ligands: a quantum chemical analysis. Journal of Biomolecular Structure and Dynamics 37:15, pages 3859-3876.
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Articles from other publishers (13)

Chongjia Yu, Yongli Huang & Jibiao Li. (2023) Revealing the H-bonding nature of water bilayers on Au(111). Surface Science 735, pages 122335.
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Na Liu, Qingzhong Li, Steve Scheiner & Xiaoying Xie. (2022) Resonance-assisted intramolecular triel bonds. Physical Chemistry Chemical Physics 24:24, pages 15015-15024.
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Joanatan‐Michael Bautista‐Renedo, Raymundo Hernández‐Esparza, Erick Cuevas‐Yañez, Horacio Reyes‐Pérez, Rubicelia Vargas, Jorge Garza & Nelly González‐Rivas. (2021) Deformations of cyclodextrins and their influence to form inclusion compounds. International Journal of Quantum Chemistry 122:6.
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Xiaoting Wang, Bin Li, Yuchun Li, Hui Wang, Yuxiang Ni & Hongyan Wang. (2021) The influence of monomer deformation on triel and tetrel bonds between TrR3/TR4 (Tr = Al, Ga, In; T = Si, Ge, Sn) and N-base (N-base = HCN, NH3, CN−). Computational and Theoretical Chemistry 1201, pages 113268.
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Deepa Palanisamy. (2019) A quantum chemical perspective on the potency of electron donors and acceptors in pnicogen bonds (AS...N, P...N, N...N). Journal of Molecular Modeling 26:1.
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M. Gnanaprakasam, L. Sandhiya & K. Senthilkumar. (2018) Theoretical Investigation on the Mechanism and Kinetics of Atmospheric Reaction of Methyldichloroacetate with Hydroxyl Radical. The Journal of Physical Chemistry A 122:48, pages 9316-9325.
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G. W. Steen, A. D. Wexler, E. C. Fuchs, H. A. Bakker, P. D. Nguyen & H. L. Offerhaus. (2018) Role of temperature in de-mixing absorbance spectra composed of compound electrolyte solutions. Applied Optics 57:27, pages 7871.
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Ang‐yang Yu. (2018) Stability and Aromaticity of Some Superatomic Compounds Al 3 ‐X (X=F, LiF 2 , BeF 3 , BF 4 ) . ChemistrySelect 3:17, pages 4639-4642.
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Rahim Ghadari. (2017) Nitrogen doped nanographene structures; study on the adsorption of nucleobases, nucleotides, and their triphosphate derivatives using mixed docking, MD, and QM/MM approaches. The Journal of Chemical Physics 146:4.
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B. Vijaya Pandiyan, P. Deepa & P. Kolandaivel. (2016) How do halogen bonds (S–O⋯I, N–O⋯I and C–O⋯I) and halogen–halogen contacts (C–I⋯I–C, C–F⋯F–C) subsist in crystal structures? A quantum chemical insight. Journal of Molecular Modeling 23:1.
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B. Vijaya Pandiyan, P. Deepa & P. Kolandaivel. (2016) Does the occurrence of resonance (by the delocalization of radical/cationic/anionic charges) induce the existence of intramolecular halogen–halogen contacts?. RSC Advances 6:71, pages 66870-66878.
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B. Vijaya Pandiyan, P. Deepa & P. Kolandaivel. (2015) Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a σ-hole?. Physical Chemistry Chemical Physics 17:41, pages 27496-27508.
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B. Vijaya Pandiyan, P. Deepa & P. Kolandaivel. (2014) On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers – ground- and excited-state properties. Phys. Chem. Chem. Phys. 16:37, pages 19928-19940.
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