Shridhar Gadre
Shridhar Gadre
Distinguished Professor, SPPU, Pune
Verified email at iitk.ac.in
TitleCited byYear
Structure and Stability of Water Clusters (H2O)n, n = 8−20:  An Ab Initio Investigation
S Maheshwary, N Patel, N Sathyamurthy, AD Kulkarni, SR Gadre
The Journal of Physical Chemistry A 105 (46), 10525-10537, 2001
4282001
Significant progress in predicting the crystal structures of small organic molecules–a report on the fourth blind test
GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ...
Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009
3732009
Some novel characteristics of atomic information entropies
SR Gadre, SB Sears, SJ Chakravorty, RD Bendale
Physical Review A 32 (5), 2602, 1985
2481985
Electrostatics of atoms and molecules
SR Gadre, RN Shirsat
Universities Press, 2000
2172000
Molecular tailoring approach for geometry optimization of large molecules: Energy evaluation and parallelization strategies
V Ganesh, RK Dongare, P Balanarayan, SR Gadre
The Journal of chemical physics 125 (10), 104109, 2006
1982006
Maximal and minimal characteristics of molecular electrostatic potentials
RK Pathak, SR Gadre
The Journal of Chemical Physics 93 (3), 1770-1773, 1990
1901990
Molecular electrostatic potentials: A topographical study
SR Gadre, SA Kulkarni, IH Shrivastava
The Journal of chemical physics 96 (7), 5253-5260, 1992
1861992
Shapes and sizes of molecular anions via topographical analysis of electrostatic potential
SR Gadre, IH Shrivastava
The Journal of chemical physics 94 (6), 4384-4390, 1991
1671991
SCRF calculation of the effect of water on the topology of the molecular electrostatic potential
FJ Luque, M Orozco, PK Bhadane, SR Gadre
The Journal of Physical Chemistry 97 (37), 9380-9384, 1993
1591993
Molecular tailoring approach for simulation of electrostatic properties
SR Gadre, RN Shirsat, AC Limaye
The Journal of Physical Chemistry 98 (37), 9165-9169, 1994
1531994
Ab initio quality one‐electron properties of large molecules: Development and testing of molecular tailoring approach
K Babu, SR Gadre
Journal of computational chemistry 24 (4), 484-495, 2003
1412003
UNIVIS-2000: an indigenously developed comprehensive visualization package
AC Limaye, SR Gadre
Curr. Sci.(India) 80, 1296-1300, 2001
1282001
Local density functional theory of atoms and molecules
RG Parr, SR Gadre, LJ Bartolotti
Proceedings of the National Academy of Sciences 76 (6), 2522-2526, 1979
1281979
Clar's aromatic sextet theory revisited via molecular electrostatic potential topography
CH Suresh, SR Gadre
The Journal of Organic Chemistry 64 (7), 2505-2512, 1999
1221999
Information entropy and Thomas-Fermi theory
SR Gadre
Physical Review A 30 (1), 620, 1984
1211984
Electronegativities of the elements from simple. CHI.. alpha. theory
LJ Bartolotti, SR Gadre, RG Parr
Journal of the American Chemical Society 102 (9), 2945-2948, 1980
1101980
Topography of molecular scalar fields. I. Algorithm and Poincaré–Hopf relation
P Balanarayan, SR Gadre
The Journal of chemical physics 119 (10), 5037-5043, 2003
1042003
A novel electrostatic approach to substituent constants: doubly substituted benzenes
CH Suresh, SR Gadre
Journal of the American Chemical Society 120 (28), 7049-7055, 1998
1031998
Ab initio structure and vibrational frequencies of (CF3SO2) 2N-Li+ ion pairs
SP Gejji, CH Suresh, K Babu, SR Gadre
The Journal of Physical Chemistry A 103 (37), 7474-7480, 1999
1011999
Rigorous relationships among quantum-mechanical kinetic energy and atomic information entropies: Upper and lower bounds
SR Gadre, RD Bendale
Physical Review A 36 (4), 1932, 1987
1001987
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