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), 2341, 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
Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional …
IA Raja, VV Gobre, RV Pinjari, SP Gejji
Journal of molecular modeling 20, 1-17, 2014
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
Efficient modelling of linear electronic polarization in materials using atomic response functions
V Gobre, A Tkatchenko, E Schöll, 2016
Binding of viologen derivatives to cucurbit [8] uril
SR Peerannawar, VV Gobre, SP Gejji
Computational and Theoretical Chemistry 983, 16-24, 2012
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
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
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
Synergistic Antibacterial Potential and Cell Surface Topology Study of Carbon Nanodots and Tetracycline Against E. coli
DK Tiwari, G Jha, M Tiwari, S Kerkar, S Das, VV Gobre
Frontiers in Bioengineering and Biotechnology 9, 626276, 2021
Selective recognition and extraction of arsenate by a urea-functionalized tripodal receptor from competitive aqueous media
SK Dey, B Gil-Hernández, VV Gobre, D Woschko, SS Harmalkar, ...
Dalton Transactions 51 (40), 15239-15245, 2022
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
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
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
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
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