Vivekanand Vaman Gobre
Vivekanand Vaman Gobre
Assistant Professor at School of Chemical Sciences, Goa University
Verified email at unigoa.ac.in
TitleCited byYear
Machine learning of molecular electronic properties in chemical compound space
G Montavon, M Rupp, V Gobre, A Vazquez-Mayagoitia, K Hansen, ...
New Journal of Physics 15 (9), 095003, 2013
2722013
Dispersion interactions with density-functional theory: Benchmarking semiempirical and interatomic pairwise corrected density functionals
N Marom, A Tkatchenko, M Rossi, VV Gobre, O Hod, M Scheffler, L Kronik
Journal of chemical theory and computation 7 (12), 3944-3951, 2011
2142011
Synthesis, electronic structure, DNA and protein binding, DNA cleavage, and anticancer activity of fluorophore-labeled copper (II) complexes
SS Bhat, AA Kumbhar, H Heptullah, AA Khan, VV Gobre, SP Gejji, ...
Inorganic chemistry 50 (2), 545-558, 2010
2112010
Scaling laws for van der Waals interactions in nanostructured materials
VV Gobre, A Tkatchenko
Nature communications 4, 2341, 2013
2082013
Many-body van der Waals interactions in molecules and condensed matter
RA DiStasio Jr, VV Gobre, A Tkatchenko
Journal of Physics: Condensed Matter 26 (21), 213202, 2014
1382014
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
372010
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
252010
Electronic structure, vibrational spectra and 1H NMR of halide ion (F−, Cl− and Br−) encapsulated bambus [6] uril from density functional theory
VV Gobre, PH Dixit, JK Khedkar, SP Gejji
Computational and Theoretical Chemistry 976 (1-3), 76-82, 2011
182011
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 viologen derivatives to cucurbit [8] uril
SR Peerannawar, VV Gobre, SP Gejji
Computational and Theoretical Chemistry 983, 16-24, 2012
112012
Molecular electrostatic potentials in Cucurbit [n] uril (n= 13–16) hosts
SR Peerannawar, VV Gobre, SP Gejji
Computational and Theoretical Chemistry 966 (1-3), 154-158, 2011
52011
Many-body van der Waals interactions in biology, chemistry, and physics
RA DiStasio Jr, VV Gobre, A Tkatchenko
J. Phys.: Condens. Matter 26, 213202, 2014
42014
Efficient modelling of linear electronic polarization in materials using atomic response functions
V Gobre, A Tkatchenko, E Schöll
http://dx.doi.org/10.14279/depositonce-5503, 2016
32016
Structure and vibrational spectra of sulfur hexafluoride encapsulated α-cyclodextrin
RV Pinjari, VV Gobre, SP Gejji
Journal of Molecular Structure: THEOCHEM 957 (1-3), 77-83, 2010
32010
Structure and normal vibrations in xanthine and its methyl derivatives from first principle calculations
VV Gobre, RV Pinjari, SP Gejji
Journal of Molecular Structure: THEOCHEM 960 (1-3), 86-92, 2010
22010
Synthesis, Characterization and Antimicrobial Properties of Mononuclear Copper (II) Compounds of N, N′-di (quinolin-8-yl) cyclohexane-1, 2-diamine
SS Harmalkar, RJ Butcher, VV Gobre, SK Gaonkar, LR D'Souza, ...
Inorganica Chimica Acta, 119020, 2019
2019
Anion Selective Disruption of Strong Intramolecular–NH⋅⋅⋅ O= C Hydrogen Bonds in a Nonchromogenic Tripodal Benzoylthiourea Receptor to Display Colorimetric Response
SK Dey, BG Hernández, M D'Souza, SN Mhaldar, VV Gobre, SN Dhuri
ChemistrySelect 4 (14), 4068-4073, 2019
2019
Efficient Oscillator-Based Approach for Polarizability and van der Waals Interactions
V Gobre, RA Distasio Jr, R Car, M Scheffler, A Tkatchenko
APS Meeting Abstracts, 2013
2013
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
L Kronik, N Marom, A Tkatchenko, M Rossi, VV Gobre, O Hod, M Scheffler
APS Meeting Abstracts, 2012
2012
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Articles 1–19