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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 112, 2014 - Issue 24
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Research Article

The nature of hydrogen bonding in R22(8) crystal motifs – a computational exploration

P. DeepaDepartment of Computational Chemistry, Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic, Prague, Czech RepublicView further author information
,
R. Vijay SolomonTheoretical and Computational Chemistry Laboratory, School of Chemistry, Bharathidasan University, Tiruchirappalli, IndiaView further author information
,
S. Angeline VedhaTheoretical and Computational Chemistry Laboratory, School of Chemistry, Bharathidasan University, Tiruchirappalli, IndiaView further author information
,
P. KolandaivelMolecular Quantum Mechanics Laboratory, Department of Physics, School of Physical Sciences, Bharathiar University, Coimbatore, IndiaCorrespondence[email protected]
View further author information
&
P. VenuvanalingamTheoretical and Computational Chemistry Laboratory, School of Chemistry, Bharathidasan University, Tiruchirappalli, IndiaView further author information
Pages 3195-3205 | Received 05 Mar 2014, Accepted 18 Jun 2014, Published online: 17 Jul 2014

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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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Midhun George Thomas, Cheriyan Ebenezer & Rajadurai Vijay Solomon. (2021) Tuning the structure of disulfonated phenanthroline based ligands for effective separation of Am(III)/Eu(III) ions : A DFT investigation. Journal of Molecular Liquids 340, pages 117151.
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Palanisamy Deepa & Duraisamy Thirumeignanam. (2020) Understanding the potency of malarial ligand (D44) in plasmodium FKBP35 and modelled halogen atom (Br, Cl, F) functional groups. Journal of Molecular Graphics and Modelling 97, pages 107553.
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Gerardo Martínez-Rugerio, Arantxa Arbe, Juan Colmenero & Angel Alegría. (2017) Supramolecular Self-Assembly of Monocarboxydecyl-Terminated Dimethylsiloxane Oligomer. Macromolecules 50:21, pages 8688-8697.
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Natsuhiko Sugimura, Yoko Igarashi, Reiko Aoyama & Toshimichi Shibue. (2017) Energy decomposition analysis of the interactions in adduct ions of acetophenone and Na+, NH4+ and H+ in the gas phase. Chemical Physics Letters 684, pages 20-23.
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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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