| 1 |
Condensed fukui functions derived from stockholder charges: Assessment of their performance as local reactivity descriptors
Olah J, Van Alsenoy C, Sannigrahi AB
Journal of Physical Chemistry A, 106(15), 3885, 2002 |
| 2 |
Electronic structure, stability, and nature of bonding of the complexes of C2H2 and C2H4 with H+, Li+, and Na+ ions. Extensive ab initio and density functional study
Kar T, Ponec R, Sannigrahi AB
Journal of Physical Chemistry A, 105(32), 7737, 2001 |
| 3 |
Comparison of ab initio Hartree-Fock and Kohn-Sham orbitals in the calculation of atomic charge, bond index, and valence
Kar T, Angyan JG, Sannigrahi AB
Journal of Physical Chemistry A, 104(44), 9953, 2000 |
| 4 |
Hardness and chemical potential profiles for some open-shell HAB ->-HBA type reactions. Ab-initio and density functional study
Kar T, Scheiner S, Sannigrahi AB
Journal of Physical Chemistry A, 102(29), 5967, 1998 |
| 5 |
Ab-Initio Potential Curves, Dipole-Moments, and Transition-Probabilities for the Low-Lying States of Arsenic Oxide
Alekseyev AB, Sannigrahi AB, Liebermann HP, Buenker RJ, Hirsch G
Journal of Chemical Physics, 103(1), 234, 1995 |
| 6 |
Hardness, Chemical-Potential, and Valency Profiles of Molecules Under Internal Rotations
Chattaraj PK, Nath S, Sannigrahi AB
Journal of Physical Chemistry, 98(37), 9143, 1994 |
| 7 |
Ab-Initio Study of Cation-Dipole Interactions - Proton, Lithium, and Sodium Affinities of Hydrogen and Alkali-Halides and Natural Orbital Study of Bonding
Sannigrahi AB, Nandi PK, Schleyer PV
Journal of the American Chemical Society, 116(16), 7225, 1994 |
