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Results 2921-2930 of 14473 (Search time: 0.007 seconds).
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Issue DateTitleAuthor(s)
2007-12-03Constrained Variational Response to Fock‐Space Multi‐Reference Coupled‐Cluster Theory: Formulation for Excited‐State Electronic Structure Calculations and Some Pilot ApplicationsManohar, Prashant Uday
2009-06First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approachManohar, Prashant Uday
2009-09-18Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examplesManohar, 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
2021-09-17Bile-Acid-Appended Triazolyl Aryl Ketones: Design, Synthesis, In Vitro Anticancer Activity and Pharmacokinetics in RatsSakhuja, Rajeev; Mazumdar, Samrat; Chitkara, Deepak
2021-08Rhodium-Catalyzed Spirocyclization of Maleimide with N-Aryl-2,3-dihydrophthalazine-1,4-dione to Access Pentacyclic Spiro-SuccinimidesSakhuja, Rajeev
2007Analytical Dipole Moments and Dipole Polarizabilities of Oxygen Mono-Fluoride and Nitrogen Dioxide: A Constrained Variational Response to Fock-Space Multi-Reference Coupled-Cluster MethodManohar, Prashant Uday

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