共 50 条
- [21] SEMIEMPIRICAL CALCULATIONS OF ELECTRONIC REDISTRIBUTIONS IN INTERACTING MOLECULAR SYSTEMS .5. MOLECULAR ELECTROSTATIC POTENTIALS FOR SYSTEMS WITH HYDROGEN-BONDINGROCZNIKI CHEMII, 1977, 51 (05): : 1013 - 1019SADLEJ, J
- [22] APPROXIMATION OF MOLECULAR ELECTROSTATIC POTENTIALSJOURNAL OF CHEMICAL PHYSICS, 1993, 99 (02): : 1224 - 1229KOSTER, AMKOLLE, CJUG, K
- [23] METHODS FOR DETERMINING THE RELIABILITY OF SEMIEMPIRICAL ELECTROSTATIC POTENTIALS AND POTENTIAL DERIVED CHARGESJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1992, 88 : 249 - 269REYNOLDS, CAFERENCZY, GGRICHARDS, WG
- [24] Accuracy assessment of semiempirical molecular electrostatic potential of proteinsTheoretical Chemistry Accounts, 2003, 109 : 213 - 219Victor M. AnisimovNikolay AnikinVladislav BugaenkoVladimir BobrikovAlexey Andreyev
- [25] APPROXIMATE ATOMIC WAVEFUNCTIONSJOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05): : 2283 - +HUZINAGA, SMCWILLIAMS, DDOMSKY, B
- [26] Accuracy assessment of semiempirical molecular electrostatic potential of proteinsTHEORETICAL CHEMISTRY ACCOUNTS, 2003, 109 (04) : 213 - 219Anisimov, VMAnikin, NBugaenko, VBobrikov, VAndreyev, A
- [27] THE ELECTROSTATIC POTENTIAL IN THE SEMIEMPIRICAL MOLECULAR-ORBITAL APPROXIMATIONCHEMICAL PHYSICS LETTERS, 1994, 225 (1-3) : 11 - 17CUMMINS, PLGREADY, JE
- [28] Molecular electrostatic potentials by systematic molecular fragmentationJOURNAL OF CHEMICAL PHYSICS, 2013, 139 (18):Reid, David M.Collins, Michael A.
- [29] DERIVATION OF NET ATOMIC CHARGES FROM MOLECULAR ELECTROSTATIC POTENTIALSJOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (03) : 297 - 310WOODS, RJKHALIL, MPELL, WMOFFAT, SHSMITH, VH
- [30] Fitting molecular electrostatic potentials from quantum mechanical calculationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2007, 3 (03) : 1004 - 1013Hu, HaoLu, ZhenyuYang, Weitao