| 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 | 769 | 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 | 320 | 2011 |
| Scaling laws for van der Waals interactions in nanostructured materials VV Gobre, A Tkatchenko Nature communications 4 (1), 2341, 2013 | 308 | 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 | 284 | 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 | 216 | 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 | 49 | 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 | 32 | 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 | 20 | 2014 |
| 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 | 19 | 2016 |
| 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 | 19 | 2011 |
| Binding of viologen derivatives to cucurbit [8] uril SR Peerannawar, VV Gobre, SP Gejji Computational and Theoretical Chemistry 983, 16-24, 2012 | 17 | 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 | 14 | 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 | 10 | 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 | 7 | 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 | 6 | 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 | 5 | 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 | 5 | 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 | 4 | 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 | 4 | 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 | 4 | 2010 |
Shridhar GejjiProfessor of Chemistry, Savitribai Phule Pune University在 chem.unipune.ac.in 的电子邮件经过验证
