Dr. Rajendra Nivrutti Shirsat
Dr. Rajendra Nivrutti Shirsat
Professor of Chemistry, School of Chemical Sciences, Goa university
Verified email at
Cited by
Cited by
Electrostatics of atoms and molecules
SR Gadre, RN Shirsat
Universities Press, 2000
Molecular tailoring approach for simulation of electrostatic properties
SR Gadre, RN Shirsat, AC Limaye
The Journal of Physical Chemistry 98 (37), 9165-9169, 1994
Molecular electrostatics. A comprehensive topographical approach
RN Shirsat, SV Bapat, SR Gadre
Chemical physics letters 200 (4), 373-378, 1992
UVA light-induced DNA cleavage by isomeric methylbenz [a] anthracenes
S Dong, PP Fu, RN Shirsat, HM Hwang, J Leszczynski, H Yu
Chemical research in toxicology 15 (3), 400-407, 2002
Electrostatic vs. Orbital Control of Facial Selectivities in π Systems: Experimental and Theoretical Study of Electrophilic Additions to 7‐Isopropylidenenorbornanes
G Mehta, FA Khan, SR Gadre, RN Shirsat, B Ganguly, J Chandrasekhar
Angewandte Chemie International Edition in English 33 (13), 1390-1392, 1994
Electrophilic Additions to 7-Methylenenorbornenes and 7-Isopropylidenenorbornenes: Can Remote Substituents Swamp Electrostatic Control of. pi.-face Selectivity?
G Mehta, G Gunasekaran, SR Gadre, RN Shirsat, B Ganguly, ...
The Journal of Organic Chemistry 59 (8), 1953-1955, 1994
Development of a restricted Hartree—Fock program INDMOL on PARAM: A highly parallel computer
RN Shirsat, AC Limaye, SR Gadre
Journal of computational chemistry 14 (4), 445-451, 1993
Influence of N sources on the photocatalytic activity of N-doped TiO2
PV Bakre, SG Tilve, RN Shirsat
Arabian Journal of Chemistry 13 (11), 7637-7651, 2020
UNIPROP; Molecular Property Calculation Package Developed by the Theoretical Chemistry Group, Department of Chemistry, University of Pune, Pune, India
SV Bapat, RN Shirsat, SR Gadre
Chem. Phys. Lett 200, 373, 1992
Ab Initio Study and Its Comparison with X-ray Crystal Structure of 4-[1-(4-Chloro-phenylamino)-ethyl] 5-methyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one
RN Jadeja, RN Shirsat, E Suresh
Structural Chemistry 16, 515-520, 2005
Molecular electrostatic potential topographical studies on the structural motifs of C 60
ED Jemmis, G Subramanian, GN Sastry, G Mehta, RN Shirsat, SR Gadre
Journal of the Chemical Society, Perkin Transactions 2, 2343-2346, 1996
Molecular electrostatics of [V 10 O 28 ] 6- cluster: a graphics visualization study using PARAM
SR Gadre, SV Bapat, A Taspa, RN Shirsat
Current Science, 798-801, 1992
Bonding and delocalization in C60via topographical analysis of the electrostatic potential and electron density
TA Claxton, RN Shirsat, SR Gadre
Journal of the Chemical Society, Chemical Communications, 731-732, 1994
Some aspects of parallelization of two-electron integrals in molecular orbital programs
SR Gadre, SA Kulkarni, AC Limaye, RN Shirsat
Zeitschrift für Physik D Atoms, Molecules and Clusters 18, 357-363, 1991
Molecular Iodine Assisted Electrocyclisation: Synthesis of Arcyriaflavin A and Formal Synthesis of Staurosporinone
ST Prachi Torney, Rajendra Shirsat
Synlett 25 (15), 2121-2126, 2014
Synthesis, activity and in silico studies of novel bisindolylmethanes from xylochemical 5-hydroxymethylfurfural as antidiabetic agents
GD Kotkar, MJ Clement, AS Tilve, RN Shirsat, VS Nadkarni, SC Ghadi, ...
Journal of Molecular Structure 1254, 132370, 2022
Bound and continuum vibrational states of the bifluoride anion
V Špirko, M Šindelka, RN Shirsat, J Leszczynski
Chemical physics letters 376 (5-6), 595-605, 2003
Photocatalytic degradation of Rose Bengal dye over mechanochemically synthesized zinc oxide under visible light irradiation
YD Kaldante, RN Shirsat, MG Chaskar
Наносистемы: физика, химия, математика 12 (6), 773-782, 2021
TLC Detection and theoretical structure elucidation of nitrogen containing compounds with cobalt thiocyanate
SR Kote, JV Albuquerque, RN Shirsat, RV Phadke, JT Kohapare, ...
Analytical Chemistry Letters 9 (4), 453-462, 2019
Prelude to molecular dynamics: Topography‐driven gaussian charge models
JV Albuquerque, RN Shirsat
International Journal of Quantum Chemistry 119 (6), e25835, 2019
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