| 1 |
Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering
Guo MY, Kallman E, Sorensen LK, Delcey MG, Pinjari RV, Lundberg M
Journal of Physical Chemistry A, 120(29), 5848, 2016 |
| 2 |
Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives
Kunnus K, Zhang WK, Delcey MG, Pinjari RV, Miedema PS, Schreck S, Quevedo W, Schroder H, Fohlisch A, Gaffney KJ, Lundberg M, Odelius M, Wernet P
Journal of Physical Chemistry B, 120(29), 7182, 2016 |
| 3 |
Electronic Structure, Molecular Electrostatic Potentials, Vibrational Spectra in Substituted Calix[n]arenes (n=4, 5) from Density Functional Theory
Khedkar JK, Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 115(38), 10624, 2011 |
| 4 |
On the Binding of SF6 to Cucurbit[6]uril Host: Density Functional Investigations
Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 114(6), 2338, 2010 |
| 5 |
Electronic Structure and H-1 NMR Chemical Shifts in Host-Guest Complexes of Cucurbit[6]uril and sym-Tetramethyl Cucurbit[6]uril with Imidzole Derivatives
Dixit PH, Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 114(40), 10906, 2010 |
| 6 |
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
Journal of Physical Chemistry A, 114(12), 4464, 2010 |
| 7 |
Electronic Structure and Normal Vibrations in (+)-Catechin and (-)-Epicatechin Encapsulated beta-Cyclodextrin
Khedkar JK, Gobre VV, Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 114(29), 7725, 2010 |
| 8 |
Inverted Cucurbit[n]urils: Density Functional Investigations on the Electronic Structure, Electrostatic Potential, and NMR Chemical Shifts
Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 113(7), 1368, 2009 |
| 9 |
Electronic Structure, Molecular Electrostatic Potential, and NMR Chemical Shifts in Cucurbit[n]urils (n=5-8), Ferrocene, and Their Complexes
Pinjari RV, Gejji SP
Journal of Physical Chemistry A, 112(49), 12679, 2008 |
| 10 |
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
Journal of Physical Chemistry A, 111(51), 13583, 2007 |
