Gejji SP - Search Results

1

Electric field effects on aromatic and aliphatic hydrocarbons: a density-functional study.

Rai D, Joshi H, Kulkarni AD, Gejji SP, Pathak RK. Rai D, et al. Among authors: gejji sp. J Phys Chem A. 2007 Sep 20;111(37):9111-21. doi: 10.1021/jp074051v. Epub 2007 Aug 28. J Phys Chem A. 2007. PMID: 17722897

2

Theoretical studies on blue versus red shifts in diglyme-M+-X- (M=Li, Na, and K and X=CF3SO3, PF6, and (CF3SO2)2N)).

Dhumal NR, Gejji SP. Dhumal NR, et al. Among authors: gejji sp. J Phys Chem A. 2006 Jan 12;110(1):219-27. doi: 10.1021/jp054209g. J Phys Chem A. 2006. PMID: 16392858

3

Electronic structure and normal vibrations of CH3(OCH2CH2)nOCH3-M+-CF3SO3- (n = 2-4, M = Li, Na, and K).

Kaulgud TV, Dhumal NR, Gejji SP. Kaulgud TV, et al. Among authors: gejji sp. J Phys Chem A. 2006 Jul 27;110(29):9231-9. doi: 10.1021/jp062431v. J Phys Chem A. 2006. PMID: 16854038

4

Molecular electrostatic potentials and hydrogen bonding in alpha-, beta-, and gamma-cyclodextrins.

Pinjari RV, Joshi KA, Gejji SP. Pinjari RV, et al. Among authors: gejji sp. J Phys Chem A. 2006 Dec 7;110(48):13073-80. doi: 10.1021/jp065169z. J Phys Chem A. 2006. PMID: 17134168

5

Theoretical studies on hydrogen bonding, NMR chemical shifts and electron density topography in alpha, beta and gamma-cyclodextrin conformers.

Pinjari RV, Joshi KA, Gejji SP. Pinjari RV, et al. Among authors: gejji sp. J Phys Chem A. 2007 Dec 27;111(51):13583-9. doi: 10.1021/jp074539w. Epub 2007 Dec 4. J Phys Chem A. 2007. PMID: 18052135

6

Water clusters (H2O)n, n=6-8, in external electric fields.

Rai D, Kulkarni AD, Gejji SP, Pathak RK. Rai D, et al. Among authors: gejji sp. J Chem Phys. 2008 Jan 21;128(3):034310. doi: 10.1063/1.2816565. J Chem Phys. 2008. PMID: 18205501

7

Electronic structure, molecular electrostatic potential, and NMR chemical shifts in cucurbit[n]urils (n = 5-8), ferrocene, and their complexes.

Pinjari RV, Gejji SP. Pinjari RV, et al. Among authors: gejji sp. J Phys Chem A. 2008 Dec 11;112(49):12679-86. doi: 10.1021/jp807268v. J Phys Chem A. 2008. PMID: 19007192

8

Inverted cucurbit[n]urils: density functional investigations on the electronic structure, electrostatic potential, and NMR chemical shifts.

Pinjari RV, Gejji SP. Pinjari RV, et al. Among authors: gejji sp. J Phys Chem A. 2009 Feb 19;113(7):1368-76. doi: 10.1021/jp809293s. J Phys Chem A. 2009. PMID: 19230206

9

On the binding of SF6 to cucurbit[6]uril host: density functional investigations.

Pinjari RV, Gejji SP. Pinjari RV, et al. Among authors: gejji sp. J Phys Chem A. 2010 Feb 18;114(6):2338-43. doi: 10.1021/jp9090602. J Phys Chem A. 2010. PMID: 20070110

10

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. Among authors: gejji sp. J Phys Chem A. 2010 Apr 1;114(12):4464-70. doi: 10.1021/jp100904c. J Phys Chem A. 2010. PMID: 20201536

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