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Browsing by Author Manohar, Prashant Uday

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Issue Date	Title	Author(s)
2014-09-03	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package	Manohar, Prashant Uday
2019-09	Analytical 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 substitutions	Manohar, Prashant Uday
2007	Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster Method	Manohar, Prashant Uday
2006-08	Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications	Manohar, Prashant Uday
2007-12-03	Constrained Variational Response to Fock‐Space Multi‐Reference Coupled‐Cluster Theory: Formulation for Excited‐State Electronic Structure Calculations and Some Pilot Applications	Manohar, Prashant Uday
2007-04	Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory	Manohar, Prashant Uday
2010-05-24	Effect of a Heteroatom on Bonding Patterns and Triradical Stabilization Energies of 2,4,6-Tridehydropyridine versus 1,3,5-Tridehydrobenzene	Manohar, Prashant Uday
2005	Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method	Manohar, Prashant Uday
2013-05-16	Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study	Manohar, Prashant Uday
2013-05-16	Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study	Manohar, Prashant Uday
2004-04	Extended coupled-cluster approach for magnetizabilities of small molecules	Manohar, Prashant Uday
2009-06	First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach	Manohar, Prashant Uday
2018-02-07	Functionalized pyranopyrazole molecules as corrosion inhibitors for mild copper metal in HCl solution: synthesis, theoretical studies, and physical investigations	Shukla, Paritosh; Manohar, Prashant Uday; Pande, Surojit; Dalvi, Anshuman
2014-03-21	Ground state of naphthyl cation: Singlet or triplet?	Manohar, Prashant Uday
2013-07-10	New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations	Manohar, Prashant Uday
2008-11-18	A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions	Manohar, Prashant Uday
2010-04	On Some Aspects of Fock-Space Multi-Reference Coupled-Cluster Singles and Doubles Energies and Optical Properties	Manohar, Prashant Uday
2009-09-18	Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples	Manohar, Prashant Uday
2017-10	Resolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and Efficiency	Manohar, Prashant Uday
2021	Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-c][1,2,5]thiadiazole: a computational study	Manohar, Prashant Uday

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