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The Journal of Chemical Physics|June 21, 2006
Does the most stable formic acid tetramer have pi stacking or C-H...O interactions?Alfred Karpfen, Ajit J ThakkarPhysical Chemistry Chemical Physics : PCCP|May 6, 2011
Blue-shifted A-H stretching frequencies in complexes with methanol: the decisive role of intramolecular couplingAlfred KarpfenThe Journal of Physical Chemistry. A|July 31, 2007
Blue-shifted A-H stretching modes and cooperative hydrogen bonding. 1. Complexes of substituted formaldehyde with cyclic hydrogen fluoride and water clustersAlfred Karpfen, Eugene S KryachkoThe Journal of Physical Chemistry. A|July 13, 2006
Strongly blue-shifted C-H stretches: interaction of formaldehyde with hydrogen fluoride clustersAlfred Karpfen, Eugene S KryachkoThe Journal of Physical Chemistry. A|April 4, 2009
On the intramolecular origin of the blue shift of A-H stretching frequencies: triatomic hydrides HAXAlfred Karpfen, Eugene S KryachkoThe Journal of Chemical Physics|October 2, 2020
Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzeneAjit J ThakkarThe Journal of Chemical Physics|August 25, 2011
Ozone: unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficientsAshok Kumar, Ajit J ThakkarThe Journal of Chemical Physics|March 3, 2005
Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculationsConcetta Lupinetti, Ajit J ThakkarThe Journal of Chemical Physics|May 24, 2013
Water nanodroplets: predictions of five model potentialsSergey Kazachenko, Ajit J ThakkarThe Journal of Chemical Physics|October 17, 2015
How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?Ajit J Thakkar, Taozhe WuPageof 3