共 50 条
- [41] Expeditious Stochastic Approach for MP2 Energies in Large Electronic SystemsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2013, 9 (01) : 24 - 27Neuhauser, DanielRabani, EranBaer, Roi
- [42] Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculationsJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (39) : 11802 - 11808Hobza, PSponer, J
- [43] Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations1600, American Chemical Society (124):Hobza, PavelŠponer, Jirí
- [45] Computing correlation energies with controlled precision: Numerical MP2 energies of atoms and small moleculesABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246Bischoff, Florian A.Valeev, Edward F.
- [46] Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systemsJOURNAL OF CHEMICAL PHYSICS, 2014, 140 (22):Maurer, Simon A.Clin, LucienOchsenfeld, Christian
- [47] How solvents affect acetaminophen etching pattern formation: Interaction between solvent and acetaminophen at the solid/liquid interfaceJOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (07): : 2270 - 2278Wen, HLi, TLMorris, KRPark, K
- [48] Theoretical study of 2-guanidinobenzimidazole.: HF, MP2 and DFT calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 637 : 55 - 72Hernández-García, RMBarba-Behrens, NSalcedo, RHöjer, G
- [49] Timings of SCF, OFT, and MP2 calculations on a beowulf cluster.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U491 - U491Moore, MBMagers, DHWiggins, M
- [50] MP2, density functional theory, and semi-empirical calculations of the interaction energies between a series of statin-drug-like molecules and the HMG-CoA reductase active siteCOMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 967 (01) : 171 - 178Utkov, Hunter E.Price, Allison M.Cafiero, Mauricio