| Study of atomic and condensed atomic indices for reactive sites of molecules P Kolandaivel, G Praveena, P Selvarengan Journal of Chemical Sciences 117, 591-598, 2005 | 110 | 2005 |
| Water adsorption in hydrophobic MOF channels S Paranthaman, FX Coudert, AH Fuchs Physical Chemistry Chemical Physics 12 (28), 8124-8130, 2010 | 87 | 2010 |
| Studies of solvent effects on conformers of glycine molecule P Selvarengan, P Kolandaivel Journal of Molecular Structure: THEOCHEM 617 (1-3), 99-106, 2002 | 81 | 2002 |
| Potential energy surface study on glycine, alanine and their zwitterionic forms P Selvarengan, P Kolandaivel Journal of Molecular Structure: THEOCHEM 671 (1-3), 77-86, 2004 | 55 | 2004 |
| From SiO Molecules to Silicates in Circumstellar Space: Atomic Structures, Growth Patterns, and Optical Signatures of SinOm Clusters AC Reber, S Paranthaman, PA Clayborne, SN Khanna, AW Castleman Jr ACS nano 2 (8), 1729-1737, 2008 | 52 | 2008 |
| Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n = 2–10) Clusters S Paranthaman, K Hong, J Kim, DE Kim, TK Kim The Journal of Physical Chemistry A 117 (38), 9293-9303, 2013 | 51 | 2013 |
| Performance of density functional theory and relativistic effective core potential for Ru-based organometallic complexes S Paranthaman, J Moon, J Kim, DE Kim, TK Kim The Journal of Physical Chemistry A 120 (13), 2128-2134, 2016 | 16 | 2016 |
| Studies of intramolecular H-bond interactions and solvent effects in the conformers of glycolic acid—A quantum chemical study M Ganesan, N Vedamanickam, S Paranthaman Journal of Theoretical and Computational Chemistry 17 (01), 1850009, 2018 | 15 | 2018 |
| Molecular modeling of dipeptide and its analogous systems with water P Selvarengan, PG Kolandaivel Journal of Molecular Modeling 10, 198-203, 2004 | 14 | 2004 |
| Complexation of carboxyl groups in bacterial lipopolysaccharides: Interactions of H+, Mg2+, Ca2+, Cd2+, and UO22+ with Kdo and galacturonate molecules via quantum mechanical … P Selvarengan, JD Kubicki, JP Guégan, X Châtellier Chemical Geology 273 (1-2), 55-75, 2010 | 11 | 2010 |
| Study of nonplanarity of peptide bond using theoretical calculations P Selvarengan, P Kolandaivel Bioorganic chemistry 33 (4), 253-263, 2005 | 10 | 2005 |
| Molecular Simulation of a Zn–Triazamacrocyle Metal–Organic Frameworks Family with Extraframework Anions M De Toni, FX Coudert, S Paranthaman, P Pullumbi, A Boutin, AH Fuchs The Journal of Physical Chemistry C 116 (4), 2952-2959, 2012 | 9 | 2012 |
| Study of metal ions (Na+, K+) interaction with different conformations of glycine molecule P Selvarengan, P Kolandaivel International journal of quantum chemistry 102 (4), 427-434, 2005 | 9 | 2005 |
| Assessment of DFT functionals in predicting bond length and atomization energy of catalytically important metal dimers S Paranthaman Croatica Chemica Acta 90 (1), 17-26, 2017 | 7 | 2017 |
| Density functional benchmark studies on structure and energetics of 3d transition metal mononitrides S Paranthaman, S Sampathkumar, NK Murugasenapathi Journal of Chemical Sciences 130, 1-13, 2018 | 6 | 2018 |
| Theoretical study of CH… O hydrogen bond in proton transfer reaction of glycine P Selvarengan, P Kolandaivel International journal of quantum chemistry 106 (4), 1001-1008, 2006 | 6 | 2006 |
| Reactivity of molecular oxygen with aluminum clusters: Density functional and Ab Initio molecular dynamics simulation study S Paranthaman, J Moon, K Hong, J Kim, DE Kim, J Kim, TK Kim International Journal of Quantum Chemistry 116 (7), 547-554, 2016 | 5 | 2016 |
| Molecular structure, interactions, and antimicrobial properties of curcumin-PLGA Complexes—a DFT study M Ganesan, S Paranthaman Journal of Molecular Modeling 27, 1-12, 2021 | 4 | 2021 |
| Performance of density functionals for the structure and energetics of (M–O)0,± (M=Al, Si, Sc–Zn) S Sampathkumar, S Paranthaman Molecular Simulation 45 (6), 475-491, 2019 | 4 | 2019 |
| Studies on the structure and conformational flexibility of secondary structures in amyloid beta—A quantum chemical study M Ganesan, S Paranthaman Journal of Theoretical and Computational Chemistry 19 (06), 2050014, 2020 | 3 | 2020 |
