共 50 条
- [22] Semiempirical molecular orbital calculations with linear system size scalingJOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17): : 6643 - 6649Dixon, SLMerz, KM
- [23] REPRESENTATIONS OF VIRTUAL ORBITALS FOR SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS - PHYSABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1970, (FEB): : 23 - &CORRINGT.JH
- [24] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS - PSEUDOROTATION IN PHOSPHORUS PENTAFLUORIDEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) : 3040 - &FLOREY, JBCUSACHS, LC
- [25] ENERGY PARAMETERS IN POLYPEPTIDES .5. EMPIRICAL HYDROGEN-BOND POTENTIAL FUNCTION BASED ON MOLECULAR-ORBITAL CALCULATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (03): : 375 - &MCGUIRE, RFSCHERAGA, HAMOMANY, FA
- [26] Semiempirical molecular orbital calculations and their application in drug discovery.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U1025 - U1025Alex, AAde Groot, MJ
- [27] 2ND ROW MOLECULAR-ORBITAL CALCULATIONS .3. SEMIEMPIRICAL CALCULATIONS OF GEOMETRIESJOURNAL OF MOLECULAR STRUCTURE, 1976, 31 (02) : 345 - 357MARSH, FJGORDON, MS
- [28] SIMULATED SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .2. TRANSFERABILITY OF FOCK MATRIX-ELEMENTS IN SILICON-COMPOUNDSACTA CHIMICA HUNGARICA-MODELS IN CHEMISTRY, 1983, 113 (03): : 309 - 315LOVAS, SBALINT, IBAN, MI
- [29] Molecular structure and electronic spectrum of ellagic acid: Semiempirical molecular orbital calculationsJOURNAL OF HETEROCYCLIC CHEMISTRY, 1997, 34 (02) : 665 - 667Sato, TKataoka, M
- [30] SEMIEMPIRICAL SCF THEORY WITH SCALED SLATER ORBITALS .2. MOLECULAR CALCULATIONSTHEORETICA CHIMICA ACTA, 1972, 25 (03): : 223 - &KLOPMAN, GPOLAK, R