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Vivekanand Vaman Gobre
Vivekanand Vaman Gobre
Assistant Professor at School of Chemical Sciences, Goa University
Verified email at unigoa.ac.in
Title
Cited by
Cited by
Year
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
7572013
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
3172011
Scaling laws for van der Waals interactions in nanostructured materials
VV Gobre, A Tkatchenko
Nature communications 4 (1), 2341, 2013
3052013
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
2842011
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
2122014
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
492010
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
322010
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
202014
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
192011
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
182016
Binding of viologen derivatives to cucurbit [8] uril
SR Peerannawar, VV Gobre, SP Gejji
Computational and Theoretical Chemistry 983, 16-24, 2012
172012
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
142019
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
102011
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
72020
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
62021
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
52022
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
42020
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
42019
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
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
42010
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Articles 1–20