Vivekanand Vaman Gobre
Vivekanand Vaman Gobre
Assistant Professor at School of Chemical Sciences, Goa University
Verified email at
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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
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
Scaling laws for van der Waals interactions in nanostructured materials
VV Gobre, A Tkatchenko
Nature communications 4 (1), 1-6, 2013
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, 2011
Many-body van der Waals interactions in molecules and condensed matter
RA DiStasio, VV Gobre, A Tkatchenko
Journal of Physics: Condensed Matter 26 (21), 213202, 2014
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
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
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
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), 1-17, 2014
Binding of viologen derivatives to cucurbit [8] uril
SR Peerannawar, VV Gobre, SP Gejji
Computational and Theoretical Chemistry 983, 16-24, 2012
Efficient modelling of linear electronic polarization in materials using atomic response functions
V Gobre, A Tkatchenko, E Schöll, 2016
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
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
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 498, 119020, 2019
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
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
Comments on the paper:" Synthesis, physicochemical properties and third-order optical nonlinearities of cadmium (II) dibromide l-Proline monohydrate for optical limiting …
BR Srinivasan, VV Gobre
Journal of Molecular Structure 1219, 128597, 2020
Synthesis, crystal structure and properties of a new noncentrosymmetric tetraoxidomolybdate (VI)
BR Srinivasan, SM Morajkar, SS Khandolkar, VV Gobre, RA Apreyan
Journal of Molecular Structure 1204, 127518, 2020
Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor
SK Dey, S Pereira, SS Harmalkar, SN Mhaldar, VV Gobre, C Janiak
CrystEngComm 22 (37), 6152-6160, 2020
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
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