The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals
Thomas, Sajesh P., Dikundwar, Amol G., Sarkar, Sounak, Pavan, Mysore S., Pal, Rumpa, Hathwar, Venkatesha R., Row, Tayur N. Guru
Published in Molecules (Basel, Switzerland) (08.06.2022)
Published in Molecules (Basel, Switzerland) (08.06.2022)
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Journal Article
Exploring the rare S-H...S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Pavan, Mysore S, Sarkar, Sounak, Row, Tayur N Guru
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01.08.2017)
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01.08.2017)
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Journal Article
Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis
Sarkar, Sounak, Pavan, Mysore S, Guru Row, T N
Published in Physical chemistry chemical physics : PCCP (28.01.2015)
Published in Physical chemistry chemical physics : PCCP (28.01.2015)
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Journal Article
Experimental evidence for 'carbon bonding' in the solid state from charge density analysis
Thomas, Sajesh P, Pavan, Mysore S, Guru Row, T N
Published in Chemical communications (Cambridge, England) (04.01.2014)
Published in Chemical communications (Cambridge, England) (04.01.2014)
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Journal Article
Is CH3NH3PbI3 Polar?
G, Sharada, Mahale, Pratibha, Kore, Bhushan P, Mukherjee, Somdutta, Pavan, Mysore S, De, Chandan, Ghara, Somnath, Sundaresan, A, Pandey, Anshu, Guru Row, Tayur N, Sarma, D. D
Published in The journal of physical chemistry letters (07.07.2016)
Published in The journal of physical chemistry letters (07.07.2016)
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Journal Article
Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study
Saravanan, Kandasamy, Sivanandam, Magudeeswaran, Hunday, Govindasamy, Pavan, Mysore S., Kumaradhas, Poomani
Published in Journal of molecular graphics & modelling (01.11.2019)
Published in Journal of molecular graphics & modelling (01.11.2019)
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Journal Article
Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study
Kalaiarasi, Chinnasamy, Pavan, Mysore S, Kumaradhas, Poomani
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01.10.2016)
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01.10.2016)
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Journal Article
Halogen Bonding and Chalcogen Bonding in 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole
Pavan, Mysore S, Jana, Ajay Kumar, Natarajan, S, Guru Row, Tayur N
Published in The journal of physical chemistry. B (27.08.2015)
Published in The journal of physical chemistry. B (27.08.2015)
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Journal Article
Charge Density Analysis of Ferulic Acid: Robustness of a Trifurcated C–H···O Hydrogen Bond
Thomas, Sajesh P, Pavan, Mysore S, Guru Row, Tayur N
Published in Crystal growth & design (05.12.2012)
Published in Crystal growth & design (05.12.2012)
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Journal Article
Extending the Supramolecular Synthon Based Fragment Approach (SBFA) for Transferability of Multipole Charge Density Parameters to Monofluorobenzoic Acids and their Cocrystals with Isonicotinamide: Importance of C–H···O, C–H···F, and F···F Intermolecular Regions
Hathwar, Venkatesha R, Thakur, Tejender S, Dubey, Ritesh, Pavan, Mysore S, Guru Row, Tayur N, Desiraju, Gautam R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
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Journal Article
Charge density and electrostatic potential of hepatitis C anti‐viral agent andrographolide: an experimental and theoretical study
Saravanan Manjula, Chinnasamy Kalaiarasi, Pavan, Mysore S, Hathwar, Venkatesha R, Kumaradhas, Poomani
Published in Acta crystallographica. Section B, Structural science (01.12.2018)
Published in Acta crystallographica. Section B, Structural science (01.12.2018)
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Journal Article
Crystal structure and theoretical charge density studies of dilantin molecule
Kalaiarasi, Chinnasamy, Sangeetha, Pachamuthu, Pavan, Mysore S., Kumaradhas, Poomani
Published in Journal of molecular structure (15.10.2018)
Published in Journal of molecular structure (15.10.2018)
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Journal Article
Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis
Iruthayaraj, Ancy, Chinnasamy, Kalaiarasi, Jha, Kunal Kumar, Munshi, Parthapratim, Pavan, Mysore S., Kumaradhas, Poomani
Published in Journal of molecular structure (15.03.2019)
Published in Journal of molecular structure (15.03.2019)
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