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Results 2911-2920 of 14473 (Search time: 0.005 seconds).
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Issue DateTitleAuthor(s)
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
2021-08-23Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageManohar, Prashant Uday
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
2019-07-23Labeling Proteins at Site-Specifically Incorporated 5-Hydroxytryptophan Residues Using a Chemoselective Rapid Azo-Coupling ReactionAddy, Partha Sarathi
2013Synthesis of bicyclic γ-lactam derivatives by intramolecular carbene insertion and aza-Wittig reactionAddy, Partha Sarathi
2013-02-20Synthesis of highly efficient pH-sensitive DNA cleaving aminomethyl N-substituted cyclic enediyne and its L-lysine conjugateAddy, Partha Sarathi
2012-08Garratt-Braverman Cyclization: a Powerful Tool for C-C Bond FormatAddy, Partha Sarathi
2008-11-18A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutionsManohar, 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

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