Artem D. Bochevarov, Ph.D. - Publications
Affiliations: | 2006 | Georgia Institute of Technology, Atlanta, GA |
Area:
quantum chemistryYear | 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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