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Issue Date	Title	Author(s)
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
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
2013-05-16	Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study	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
2013-05-16	Extended coupled cluster through nth perturbation order for molecular response properties: A comparative study	Manohar, Prashant Uday
2014-03-21	Ground state of naphthyl cation: Singlet or triplet?	Manohar, Prashant Uday
2014-09-03	Advances in molecular quantum chemistry contained in the Q-Chem 4 program package	Manohar, Prashant Uday
2017-10	Resolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and Efficiency	Manohar, Prashant Uday
2019	Functionalized pyranopyrazole molecules as corrosion inhibitors for mild copper metal in HCl solution: synthesis, theoretical studies, and physical investigations	Manohar, Prashant Uday; Pande, Surojit; Dalvi, Anshuman
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
2021	Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-c][1,2,5]thiadiazole: a computational study	Manohar, Prashant Uday
2021-08-23	Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package	Manohar, Prashant Uday
2019-07-23	Labeling Proteins at Site-Specifically Incorporated 5-Hydroxytryptophan Residues Using a Chemoselective Rapid Azo-Coupling Reaction	Addy, Partha Sarathi
2013	Synthesis of bicyclic γ-lactam derivatives by intramolecular carbene insertion and aza-Wittig reaction	Addy, Partha Sarathi
2013-02-20	Synthesis of highly efficient pH-sensitive DNA cleaving aminomethyl N-substituted cyclic enediyne and its L-lysine conjugate	Addy, Partha Sarathi
2012-08	Garratt-Braverman Cyclization: a Powerful Tool for C-C Bond Format	Addy, Partha Sarathi
2014-09-12	Glucose Directly Promotes Antifungal Resistance in the Fungal Pathogen, Candida spp	Addy, Partha Sarathi
2012-01-04	A facile Garratt–Braverman cyclization route to intercalative DNA-binding bis-quinones	Addy, Partha Sarathi
2013	1,3,5-Trisubstituted benzenes as fluorescent photoaffinity probes for human carbonic anhydrase II capture	Addy, Partha Sarathi
2014-08-28	ChemInform Abstract: Design and Synthesis of Azobenzene Template Based Sulfonamide for Capture of HCAII: Dependence of Efficiency on E—Z Geometry	Addy, Partha Sarathi