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Many-body van der Waals interactions in molecules and condensed matter.
DiStasio RA Jr, Gobre VV, Tkatchenko A. DiStasio RA Jr, et al. Among authors: gobre vv. J Phys Condens Matter. 2014 May 28;26(21):213202. doi: 10.1088/0953-8984/26/21/213202. Epub 2014 May 8. J Phys Condens Matter. 2014. PMID: 24805055 Review.
Electronic structure and normal vibrations in (+)-catechin and (-)-epicatechin encapsulated beta-cyclodextrin.
Khedkar JK, Gobre VV, Pinjari RV, Gejji SP. Khedkar JK, et al. Among authors: gobre vv. J Phys Chem A. 2010 Jul 29;114(29):7725-32. doi: 10.1021/jp102304j. J Phys Chem A. 2010. PMID: 20597523
Scaling laws for van der Waals interactions in nanostructured materials.
Gobre VV, Tkatchenko A. Gobre VV, et al. Nat Commun. 2013;4:2341. doi: 10.1038/ncomms3341. Nat Commun. 2013. PMID: 23955481 Free PMC article.
Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (nā€‰=ā€‰6,7) and their inverted diastereomers: density functional investigations.
Raja IA, Gobre VV, Pinjari RV, Gejji SP. Raja IA, et al. Among authors: gobre vv. J Mol Model. 2014 Mar;20(3):2138. doi: 10.1007/s00894-014-2138-3. Epub 2014 Feb 25. J Mol Model. 2014. PMID: 24567156
Synthesis, electronic structure, DNA and protein binding, DNA cleavage, and anticancer activity of fluorophore-labeled copper(II) complexes.
Bhat SS, Kumbhar AA, Heptullah H, Khan AA, Gobre VV, Gejji SP, Puranik VG. Bhat SS, et al. Among authors: gobre vv. Inorg Chem. 2011 Jan 17;50(2):545-58. doi: 10.1021/ic101534n. Epub 2010 Dec 14. Inorg Chem. 2011. PMID: 21155539
Density functional investigations on the charge distribution, vibrational spectra, and NMR chemical shifts in cucurbit[n]uril (n = 5-12) hosts.
Gobre VV, Pinjari RV, Gejji SP. Gobre VV, et al. J Phys Chem A. 2010 Apr 1;114(12):4464-70. doi: 10.1021/jp100904c. J Phys Chem A. 2010. PMID: 20201536
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.
Marom N, Tkatchenko A, Rossi M, Gobre VV, Hod O, Scheffler M, Kronik L. Marom N, et al. Among authors: gobre vv. J Chem Theory Comput. 2011 Dec 13;7(12):3944-51. doi: 10.1021/ct2005616. Epub 2011 Nov 10. J Chem Theory Comput. 2011. PMID: 26598340
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