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Shridhar Gadre
Shridhar Gadre
Distinguished Professor, SPPU, Pune
Verified email at iitk.ac.in
Title
Cited by
Cited by
Year
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
5802001
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
4762009
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
2772000
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
2331993
Maximal and minimal characteristics of molecular electrostatic potentials
RK Pathak, SR Gadre
The Journal of chemical physics 93 (3), 1770-1773, 1990
2171990
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
2121991
Molecular tailoring approach for simulation of electrostatic properties
SR Gadre, RN Shirsat, AC Limaye
The Journal of Physical Chemistry 98 (37), 9165-9169, 1994
2021994
Quantum chemical investigations on molecular clusters
SR Gadre, SD Yeole, N Sahu
Chemical reviews 114 (24), 12132-12173, 2014
1902014
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
1831979
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
1451999
Information entropy and Thomas-Fermi theory
SR Gadre
Physical Review A 30 (1), 620, 1984
1451984
UNIVIS-2000: an indigenously developed comprehensive visualization package
AC Limaye, SR Gadre
Current Science 80 (10), 1296-1301, 2001
1372001
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
1261999
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
1261980
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
1252003
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
1182008
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
1161998
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