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Shridhar Gadre
Shridhar Gadre
Distinguished Professor, SPPU, Pune
Verified email at iitk.ac.in
Title
Cited by
Cited by
Year
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
269041979
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
5732001
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
4682009
Some novel characteristics of atomic information entropies
SR Gadre, SB Sears, SJ Chakravorty, RD Bendale
Physical Review A 32 (5), 2602, 1985
2981985
Electrostatics of atoms and molecules
SR Gadre, RN Shirsat
Universities Press, 2000
2752000
Molecular electrostatic potentials: A topographical study
SR Gadre, SA Kulkarni, IH Shrivastava
The Journal of chemical physics 96 (7), 5253-5260, 1992
2351992
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
2251993
Maximal and minimal characteristics of molecular electrostatic potentials
RK Pathak, SR Gadre
The Journal of chemical physics 93 (3), 1770-1773, 1990
2131990
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
2091991
Molecular tailoring approach for simulation of electrostatic properties
SR Gadre, RN Shirsat, AC Limaye
The Journal of Physical Chemistry 98 (37), 9165-9169, 1994
1971994
Quantum chemical investigations on molecular clusters
SR Gadre, SD Yeole, N Sahu
Chemical reviews 114 (24), 12132-12173, 2014
1872014
An information theoretic synthesis and analysis of Compton profiles
SB Sears, SR Gadre
The Journal of Chemical Physics 75 (9), 4626-4635, 1981
1671981
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
1642003
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
1461999
Information entropy and Thomas-Fermi theory
SR Gadre
Physical Review A 30 (1), 620, 1984
1441984
UNIVIS-2000: an indigenously developed comprehensive visualization package
AC Limaye, SR Gadre
Current Science 80 (10), 1296-1301, 2001
1372001
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
1281980
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
1251999
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
1242003
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approach
MM Deshmukh, LJ Bartolotti, SR Gadre
The Journal of Physical Chemistry A 112 (2), 312-321, 2008
1162008
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