| 1 |
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
Varadwaj PR, Varadwaj A, Marques HM
Journal of Physical Chemistry A, 115(22), 5592, 2011 |
| 2 |
A Density Functional Theory and Quantum Theory of Atoms-in-Molecules Analysis of the Stability of Ni(II) Complexes of Some Amino Alcohol Ligands
Varadwaj PR, Cukrowski I, Perry CB, Marques HM
Journal of Physical Chemistry A, 115(24), 6629, 2011 |
| 3 |
High-Resolution Fourier Transform Infrared Absorption Spectroscopy of the nu(6) Band of c-C3H2
Varadwaj PR, Fujimori R, Kawaguchi K
Journal of Physical Chemistry A, 115(30), 8458, 2011 |
| 4 |
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
Varadwaj PR, Varadwaj A, Peslherbe GH, Marques HM
Journal of Physical Chemistry A, 115(45), 13180, 2011 |
| 5 |
DFT-UX3LYP Studies on the Coordination Chemistry of Ni2+. Part 1: Six Coordinate [Ni(NH3)(n)(H2O)(6-n)](2+) Complexes
Varadwaj PR, Cukrowski I, Marques HM
Journal of Physical Chemistry A, 112(42), 10657, 2008 |
| 6 |
Molecular electronic properties and vibrational characteristics of PCCN... HX/DX (X = F, Cl, Br) inter-molecular complexes
Varadwaj PR, Husain MM
Chemical Physics Letters, 424(4-6), 227, 2006 |
