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Kaustubh Joshi
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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
682006
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
482007
Structures and IR spectra of the gramicidin S peptide: pushing the quest for low-energy conformations
K Joshi, D Semrouni, G Ohanessian, C Clavaguéra
The Journal of Physical Chemistry B 116 (1), 483-490, 2012
372012
Theoretical and experimental investigations on the structure and vibrational spectra of 2-hydroxy-3-methyl-1, 4-naphthoquinone-1-oxime
DR Thube, AV Todkary, KA Joshi, SY Rane, SP Gejji, SA Salunke, ...
Journal of Molecular Structure: THEOCHEM 622 (3), 211-219, 2003
152003
iEDDA Reaction of the Molecular Iodine-Catalyzed Synthesis of 1,3,5-Triazines via Functionalization of the sp3 C–H Bond of Acetophenones with Amidines: An …
AR Tiwari, SR Nath, KA Joshi, BM Bhanage
The Journal of Organic Chemistry 82 (24), 13239-13249, 2017
122017
Molecular electrostatic potentials and electron densities in nitrotriprismanes
KA Joshi, SP Gejji
Journal of Molecular Structure: THEOCHEM 724 (1-3), 87-93, 2005
82005
Innovative approaches in drug discovery
K Joshi, D Patil
Elsevier, 2017
62017
Ab initio and density functional studies on the structure and vibrational spectra of 2-hydroxy-1, 4-naphthoquinone-1-oxime derivatives
KA Joshi, DR Thube, SY Rane, SP Gejji
Theoretical Chemistry Accounts 110, 322-327, 2003
62003
PyGlobal: A toolkit for automated compilation of DFT‐based descriptors
SR Nath, SS Kurup, KA Joshi
Journal of Computational Chemistry 37 (16), 1505-1510, 2016
52016
Mechanistic investigation in the [1, 4] and [1, 2] Wittig rearrangement reactions: A DFT study
SR Nath, KA Joshi
Physical Chemistry Chemical Physics 20 (33), 21457-21473, 2018
42018
Molecular electrostatic potentials in aromatic substituted 4-hydroxyquino-2-lones: Glycine/NMDA receptor antagonists
KA Joshi, DD Patil, SP Gejji
Journal of molecular modeling 15, 383-390, 2009
42009
Theoretical studies on the electronic structure, charge distribution and vibrational spectra of diglyme–M+-AsF6−(M= Li, Na, K)
RV Pinjari, KA Joshi, SP Gejji
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (3 …, 2008
42008
Electronic structure, charge distribution and vibrational characteristics of glycine/NMDA receptor antagonists
KA Joshi, DD Patil, SP Gejji
Journal of Molecular Structure: THEOCHEM 813 (1-3), 9-19, 2007
42007
Electronic structure and vibrational analysis of AHA⋯ HX complexes
KA Joshi, SP Gejji
Chemical physics letters 415 (1-3), 110-114, 2005
42005
Molecular electrostatic potentials and electron densities in azatriprismanes and nitroazatriprismanes
SP Gejji, KA Joshi
Theoretical Chemistry Accounts 113, 167-177, 2005
32005
Chapter 8-immunofluorescence. U: Basic Science Methods for Clinical Researchers [Internet]. Jalali M, Saldanha FYL, Jalali M, urednici
S Joshi, D Yu
Academic Press, 2017
22017
Exploring Quantum Chemical Descriptors and Molecular Docking Approach for Designing Antagonist Search Model for the Glycine/NMDA Receptor Site
SV Ingle, KA Joshi
ChemistrySelect 2 (32), 10476-10483, 2017
12017
TfOH Catalyzed [3+ 2] Cycloaddition of Cyclopropane 1, 1‐Diesters with Nitriles: A Density Functional Study
SS Kurup, P Singh, KA Joshi
ChemistrySelect 1 (21), 6841-6846, 2016
12016
Exploring isoxazole and carboxamide derivatives as potential non-nucleoside reverse transcriptase inhibitors
SS Kurup, KA Joshi
Journal of Molecular Graphics and Modelling 65, 113-128, 2016
12016
Electron density topography based model to explore N-methyl-d-aspartate receptor channel blockers
SV Ingle, KA Joshi
Chemical Physics Letters 648, 53-59, 2016
12016
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Articles 1–20