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Results 1-10 of 11 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
2018-02-07Functionalized pyranopyrazole molecules as corrosion inhibitors for mild copper metal in HCl solution: synthesis, theoretical studies, and physical investigationsShukla, Paritosh; Manohar, Prashant Uday; Pande, Surojit; Dalvi, Anshuman
2014-09-03Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageManohar, Prashant Uday
2019Functionalized pyranopyrazole molecules as corrosion inhibitors for mild copper metal in HCl solution: synthesis, theoretical studies, and physical investigationsManohar, Prashant Uday; Pande, Surojit; Dalvi, Anshuman
2019-09Analytical dipole moments and dipole polarizabilities of doublet radicals using Cholesky representation of constrained variational linear response to Fock-space multi-reference coupled-cluster method with single and double substitutionsManohar, Prashant Uday
2017-10Resolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and EfficiencyManohar, Prashant Uday
2013-07-10New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculationsManohar, Prashant Uday
2013-05-16Extended coupled cluster through nth perturbation order for molecular response properties: A comparative studyManohar, Prashant Uday
2013-05-16Extended coupled cluster through nth perturbation order for molecular response properties: A comparative studyManohar, Prashant Uday
2014-03-21Ground state of naphthyl cation: Singlet or triplet?Manohar, Prashant Uday
2010-05-24Effect of a Heteroatom on Bonding Patterns and Triradical Stabilization Energies of 2,4,6-Tridehydropyridine versus 1,3,5-TridehydrobenzeneManohar, Prashant Uday

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