List of works - Rahul V Pinjari

Alkali metals (Li, Na, and K) in methyl phosphodiester hydrolysis.

scientific article published on 16 April 2009

Binding of rhodamine B and kiton red S to cucurbit[7]uril: density functional investigations.

scientific article

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

scientific article published on 27 October 2015

Density functional investigations on the charge distribution, vibrational spectra, and NMR chemical shifts in cucurbit[n]uril (n = 5-12) hosts.

scientific article published in April 2010

Electronic structure and (1)H NMR chemical shifts in host-guest complexes of cucurbit[6]uril and sym-tetramethyl cucurbit[6]uril with imidazole derivatives.

scientific article

Electronic structure and normal vibrations in (+)-catechin and (-)-epicatechin encapsulated beta-cyclodextrin.

scientific article published in July 2010

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

scientific article

Electronic structure, molecular electrostatic potentials, vibrational spectra in substituted calix[n]arenes (n = 4, 5) from density functional theory.

scientific article published on 6 September 2011

Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigations

scientific article published on 25 February 2014

Erratum: "Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states" [J. Chem. Phys. 141, 124116 (2014)]

scientific article published on 01 February 2015

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

scientific article

Luminescent Ruthenium(II) Polypyridyl Complexes as Nonviral Carriers for DNA Delivery.

scientific article published on 10 November 2016

Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering.

scientific article published on 19 July 2016

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

scientific article published on 01 December 2006

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states

scientific article published on 01 September 2014

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.

scientific article published on 8 January 2016

Synthesis and conformational study of chiral oxepines: the Baylis-Hillman reaction and RCM approach with sugar aldehyde.

scientific article published in September 2009

Synthesis and evaluation of N-(4-(substituted)-3-(trifluoromethyl) phenyl) isobutyramides and their N-ethyl analogous as anticancer, anti-angiogenic & antioxidant agents: In vitro and in silico analysis

scientific article published on 08 April 2021

Synthesis, computational study and glycosidase inhibitory activity of polyhydroxylated conidine alkaloids--a bicyclic iminosugar.

scientific article published on 2 June 2010

Theoretical studies on NMR chemical shifts in azacubanes

scientific article published on 10 October 2006

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

scientific article published on 4 December 2007

Theoretical studies on the electronic structure, charge distribution and vibrational spectra of diglyme-M(+)-AsF(6)(-) (M=Li, Na, K).

scientific article published on 14 March 2008

Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives

scientific article published on 5 July 2016

List of works by Rahul V Pinjari

Alkali metals (Li, Na, and K) in methyl phosphodiester hydrolysis.

Binding of rhodamine B and kiton red S to cucurbit[7]uril: density functional investigations.

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

Density functional investigations on the charge distribution, vibrational spectra, and NMR chemical shifts in cucurbit[n]uril (n = 5-12) hosts.

Electronic structure and (1)H NMR chemical shifts in host-guest complexes of cucurbit[6]uril and sym-tetramethyl cucurbit[6]uril with imidazole derivatives.

Electronic structure and normal vibrations in (+)-catechin and (-)-epicatechin encapsulated beta-cyclodextrin.

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

Electronic structure, molecular electrostatic potentials, vibrational spectra in substituted calix[n]arenes (n = 4, 5) from density functional theory.

Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigations

Erratum: "Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states" [J. Chem. Phys. 141, 124116 (2014)]

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

Luminescent Ruthenium(II) Polypyridyl Complexes as Nonviral Carriers for DNA Delivery.

Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering.

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

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.

Synthesis and conformational study of chiral oxepines: the Baylis-Hillman reaction and RCM approach with sugar aldehyde.

Synthesis and evaluation of N-(4-(substituted)-3-(trifluoromethyl) phenyl) isobutyramides and their N-ethyl analogous as anticancer, anti-angiogenic & antioxidant agents: In vitro and in silico analysis

Synthesis, computational study and glycosidase inhibitory activity of polyhydroxylated conidine alkaloids--a bicyclic iminosugar.

Theoretical studies on NMR chemical shifts in azacubanes

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

Theoretical studies on the electronic structure, charge distribution and vibrational spectra of diglyme-M(+)-AsF(6)(-) (M=Li, Na, K).

Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives