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Prashant Manohar - Publications

Affiliations: 
2007-2009 Chemistry University of Southern California, Los Angeles, CA, United States 
 2009- Birla Institute of Technology and Science, Pilani 
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Manohar P, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.323
2017 Kumar D, Dutta AK, Manohar PU. Resolution of the Identity and Cholesky Representation of EOM-MP2 Approximation: Implementation, Accuracy and Efficiency Journal of Chemical Sciences. 129: 1611-1626. DOI: 10.1007/S12039-017-1378-Z  0.311
2013 Epifanovsky E, Wormit M, Ku? T, Landau A, Zuev D, Khistyaev K, Manohar P, Kaliman I, Dreuw A, Krylov AI. New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations. Journal of Computational Chemistry. 34: 2293-2309. PMID 24159628 DOI: 10.1002/Jcc.23377  0.627
2009 Manohar PU, Stanton JF, Krylov AI. Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples. The Journal of Chemical Physics. 131: 114112. PMID 19778105 DOI: 10.1063/1.3231133  0.537
2009 Manohar PU, Koziol L, Krylov AI. Effect of a heteroatom on bonding patterns and triradical stabilization energies of 2,4,6-tridehydropyridine versus 1,3,5-tridehydrobenzene. The Journal of Physical Chemistry. A. 113: 2591-9. PMID 19236028 DOI: 10.1021/Jp810522E  0.716
2008 Manohar PU, Krylov AI. A noniterative perturbative triples correction for the spin-flipping and spin-conserving equation-of-motion coupled-cluster methods with single and double substitutions. The Journal of Chemical Physics. 129: 194105. PMID 19026043 DOI: 10.1063/1.3013087  0.555
2006 Manohar PU, Vaval N, Pal S. Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications Journal of Molecular Structure: Theochem. 768: 91-96. DOI: 10.1016/J.Theochem.2006.05.022  0.345
2005 Vaval N, Manohar P, Pal S. Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method Collection of Czechoslovak Chemical Communications. 70: 851-863. DOI: 10.1135/Cccc20050851  0.351
2004 Manohar PU, Vaval N, Pal S. Extended coupled-cluster approach for magnetizabilities of small molecules Chemical Physics Letters. 387: 442-447. DOI: 10.1016/J.Cplett.2004.02.050  0.346
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