| Halogen bonding: A halogen-centered noncovalent interaction yet to be understood PR Varadwaj, A Varadwaj, HM Marques Inorganics 7 (3), 40, 2019 | 126 | 2019 |
| Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide … PR Varadwaj, A Varadwaj, HM Marques, K Yamashita Scientific reports 9 (1), 50, 2019 | 123 | 2019 |
| Is the fluorine in molecules dispersive? Is molecular electrostatic potential a valid property to explore fluorine-centered non-covalent interactions? A Varadwaj, HM Marques, PR Varadwaj Molecules 24 (3), 379, 2019 | 82 | 2019 |
| The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density PR Varadwaj, HM Marques Physical Chemistry Chemical Physics 12 (9), 2126-2138, 2010 | 82 | 2010 |
| DFT-UX3LYP Studies on the Coordination Chemistry of Ni2+. Part 1: Six Coordinate [Ni(NH3)n(H2O)6−n]2+ Complexes PR Varadwaj, I Cukrowski, HM Marques The Journal of Physical Chemistry A 112 (42), 10657-10666, 2008 | 73 | 2008 |
| Significant evidence of C⋯ O and C⋯ C long-range contacts in several heterodimeric complexes of CO with CH 3–X, should one refer to them as carbon and dicarbon bonds! PR Varadwaj, A Varadwaj, BY Jin Physical Chemistry Chemical Physics 16 (32), 17238-17252, 2014 | 61 | 2014 |
| DFT-B3LYP, NPA-, and QTAIM-Based Study of the Physical Properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) Complexes PR Varadwaj, A Varadwaj, HM Marques The Journal of Physical Chemistry A 115 (22), 5592-5601, 2011 | 52 | 2011 |
| Fluorines in tetrafluoromethane as halogen bond donors: Revisiting address the nature of the fluorine's σhole A Varadwaj, PR Varadwaj, BY Jin International Journal of Quantum Chemistry 115 (7), 453-470, 2015 | 50 | 2015 |
| Can a Single Molecule of Water be Completely Isolated Within the Subnano‐Space Inside the Fullerene C60 Cage? A Quantum Chemical Prospective A Varadwaj, PR Varadwaj Chemistry–A European Journal 18 (48), 15345-15360, 2012 | 49 | 2012 |
| Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site (s) on another molecule (s)? Like liking like! A Varadwaj, PR Varadwaj, BY Jin RSC advances 6 (23), 19098-19110, 2016 | 48 | 2016 |
| Halogen bonding interaction of chloromethane with several nitrogen donating molecules: Addressing the nature of the chlorine surface σ-hole PR Varadwaj, A Varadwaj, BY Jin Physical Chemistry Chemical Physics 16 (36), 19573-19589, 2014 | 45 | 2014 |
| The chalcogen bond: can it be formed by oxygen? PR Varadwaj, A Varadwaj, HM Marques, PJ MacDougall Physical Chemistry Chemical Physics 21 (36), 19969-19986, 2019 | 42 | 2019 |
| Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: Entirely negative fluorine interacting cooperatively with entirely negative … PR Varadwaj, A Varadwaj, BY Jin Physical Chemistry Chemical Physics 17 (47), 31624-31645, 2015 | 40 | 2015 |
| The physical chemistry of [M(H2O)4(NO3)2] (M = Mn2+, Co2+, Ni2+, Cu2+, Zn2+) complexes: computational studies of their structure, energetics and the … PR Varadwaj, HM Marques Theoretical Chemistry Accounts 127, 711-725, 2010 | 39 | 2010 |
| Can combined electrostatic and polarization effects alone explain the F··· F negative-negative bonding in simple fluoro-substituted benzene derivatives? A first-principles … PR Varadwaj, A Varadwaj, HM Marques, K Yamashita Computation 6 (4), 51, 2018 | 37 | 2018 |
| Conformational analysis of 18-azacrown-6 and its bonding with late first transition series divalent metals: Insight from DFT combined with NPA and QTAIM analyses PR Varadwaj, A Varadwaj, GH Peslherbe, HM Marques The Journal of Physical Chemistry A 115 (45), 13180-13190, 2011 | 36 | 2011 |
| Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like! A Varadwaj, PR Varadwaj, K Yamashita Journal of Computational Chemistry 39 (7), 343-350, 2018 | 34 | 2018 |
| Hybrid organic–inorganic CH3NH3PbI3 perovskite building blocks: Revealing ultra‐strong hydrogen bonding and mulliken inner complexes and their implications in materials design A Varadwaj, PR Varadwaj, K Yamashita Journal of computational chemistry 38 (32), 2802-2818, 2017 | 33 | 2017 |
| Revealing the chemistry between band gap and binding energy for lead‐/tin‐based trihalide perovskite solar cell semiconductors A Varadwaj, PR Varadwaj, K Yamashita ChemSusChem 11 (2), 449-463, 2018 | 31 | 2018 |
| Does oxygen feature chalcogen bonding? PR Varadwaj Molecules 24 (17), 3166, 2019 | 30 | 2019 |
Arpita Varadwaj, Dr. (Engr.)The University of Tokyo, Tokyo, JapanVerified email at tcl.t.u-tokyo.ac.jp
