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Artem D. Bochevarov, Ph.D. - Publications

Affiliations: 
2006 Georgia Institute of Technology, Atlanta, GA 
Area:
quantum chemistry
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7 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
2010 Hall ML, Zhang J, Bochevarov AD, Friesner RA. Continuous Localized Orbital Corrections to Density Functional Theory: B3LYP-CLOC. Journal of Chemical Theory and Computation. 6: 3647-3663. PMID 21286233 DOI: 10.1021/Ct100418N  0.321
2009 Hall ML, Goldfeld DA, Bochevarov AD, Friesner RA. Localized orbital corrections for the calculation of barrier heights in density functional theory. Journal of Chemical Theory and Computation. 5: 2996-3009. PMID 20161583 DOI: 10.1021/Ct9003965  0.367
2007 Bochevarov AD, Sherrill CD. Some simple results following from Löwdin's partitioning technique Journal of Mathematical Chemistry. 42: 59-64. DOI: 10.1007/S10910-006-9097-6  0.406
2006 Bochevarov AD, Temelso B, Sherrill CD. Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking. The Journal of Chemical Physics. 125: 054109. PMID 16942205 DOI: 10.1063/1.2222350  0.409
2005 Bochevarov AD, Sherrill CD. Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions. The Journal of Chemical Physics. 122: 234110. PMID 16008433 DOI: 10.1063/1.1935508  0.556
2004 Bochevarov AD, Sherrill CD. A general diagrammatic algorithm for contraction and subsequent simplification of second-quantized expressions. The Journal of Chemical Physics. 121: 3374-83. PMID 15303900 DOI: 10.1063/1.1774977  0.413
2004 Bochevarov AD, Valeev EF, Sherrill CD. The electron and nuclear orbitals model: Current challenges and future prospects Molecular Physics. 102: 111-123. DOI: 10.1080/00268970410001668525  0.473
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