Rahul Pinjari
Rahul Pinjari
Assistant Professor, SRTMU, Nanded
Verified email at srtmun.ac.in - Homepage
Title
Cited by
Cited by
Year
Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states
RV Pinjari, MG Delcey, M Guo, M Odelius, M Lundberg
The Journal of chemical physics 141 (12), 124116, 2014
812014
Electronic Structure, Molecular Electrostatic Potential, and NMR Chemical Shifts in Cucurbit[n]urils (n = 5−8), Ferrocene, and Their Complexes
RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 112 (49), 12679-12686, 2008
642008
Molecular electrostatic potentials and hydrogen bonding in α-, β-, and γ-cyclodextrins
RV Pinjari, KA Joshi, SP Gejji
The Journal of Physical Chemistry A 110 (48), 13073-13080, 2006
572006
Viewing the valence electronic structure of ferric and ferrous hexacyanide in solution from the Fe and cyanide perspectives
K Kunnus, W Zhang, MG Delcey, RV Pinjari, PS Miedema, S Schreck, ...
The Journal of Physical Chemistry B 120 (29), 7182-7194, 2016
512016
Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method
M Guo, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg
Physical Chemistry Chemical Physics 18 (4), 3250-3259, 2016
482016
Density Functional Investigations on the Charge Distribution, Vibrational Spectra, and NMR Chemical Shifts in Cucurbit[n]uril (n = 5−12) Hosts
VV Gobre, RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 114 (12), 4464-4470, 2010
422010
Theoretical studies on hydrogen bonding, NMR chemical shifts and electron density topography in α, β and γ-cyclodextrin conformers
RV Pinjari, KA Joshi, SP Gejji
The Journal of Physical Chemistry A 111 (51), 13583-13589, 2007
412007
Synthesis, computational study and glycosidase inhibitory activity of polyhydroxylated conidine alkaloids—a bicyclic iminosugar
SP Sanap, S Ghosh, AM Jabgunde, RV Pinjari, SP Gejji, S Singh, ...
Organic & Biomolecular Chemistry 8 (14), 3307-3315, 2010
392010
Cost and sensitivity of restricted active‐space calculations of metal L‐edge X‐ray absorption spectra
RV Pinjari, MG Delcey, M Guo, M Odelius, M Lundberg
Journal of Computational Chemistry 37 (5), 477-486, 2016
362016
Cavity diameter and height of cyclodextrins and cucurbit [n] urils from the molecular electrostatic potential topography
RV Pinjari, JK Khedkar, SP Gejji
Journal of Inclusion Phenomena and Macrocyclic Chemistry 66 (3-4), 371-380, 2010
312010
Inverted Cucurbit[n]urils: Density Functional Investigations on the Electronic Structure, Electrostatic Potential, and NMR Chemical Shifts
RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 113 (7), 1368-1376, 2009
272009
Electronic structure and normal vibrations in (+)-catechin and (−)-epicatechin encapsulated β-cyclodextrin
JK Khedkar, VV Gobre, RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 114 (29), 7725-7732, 2010
262010
Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering
M Guo, E Källman, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg
J. Phys. Chem. A, 120 (29), 5848, 2016
252016
On the Binding of SF6 to Cucurbit[6]uril Host: Density Functional Investigations
RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 114 (6), 2338-2343, 2010
222010
Electronic Structure, Molecular Electrostatic Potentials, Vibrational Spectra in Substituted Calix[n]arenes (n = 4, 5) from Density Functional Theory
JK Khedkar, RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 115 (38), 10624-10637, 2011
172011
Electronic Structure and 1H NMR Chemical Shifts in Host-Guest Complexes of Cucurbit[6]uril and sym-Tetramethyl Cucurbit[6]uril with Imidazole Derivatives
PH Dixit, RV Pinjari, SP Gejji
The Journal of Physical Chemistry A 114 (40), 10906-10916, 2010
162010
Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit [n] uril (n= 6, 7) and their inverted diastereomers: density functional investigations
IA Raja, VV Gobre, RV Pinjari, SP Gejji
Journal of molecular modeling 20 (3), 2138, 2014
142014
Binding of rhodamine B and kiton red S to cucurbit [7] uril: density functional investigations
JK Khedkar, KK Jagtap, RV Pinjari, AK Ray, SP Gejji
Journal of molecular modeling 18 (8), 3743-3750, 2012
142012
Crystal structure, NMR and theoretical investigations on 2-(o-hydroxy-anilino)-1, 4-napthoquinone
N Feizi, RV Pinjari, SP Gejji, FB Sayyed, R Gonnade, SY Rane
Journal of Molecular Structure 966 (1-3), 144-151, 2010
112010
Synthesis and Conformational Study of Chiral Oxepines: The Baylis− Hillman Reaction and RCM Approach with Sugar Aldehyde
VH Jadhav, OP Bande, RV Pinjari, SP Gejji, VG Puranik, DD Dhavale
The Journal of organic chemistry 74 (17), 6486-6494, 2009
102009
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