共 50 条
- [31] COMPUTATION OF DISSOCIATION-ENERGIESJOURNAL OF CHEMICAL EDUCATION, 1982, 59 (07) : 623 - 623LEE, J
- [32] LCAO MOLECULAR ORBITAL COMPUTATION OF RESONANCE ENERGIES OF BENZENE AND BUTADIENE, WITH GENERAL ANALYSIS OF THEORETICAL VERSUS THERMOCHEMICAL RESONANCE ENERGIESJOURNAL OF CHEMICAL PHYSICS, 1951, 19 (10): : 1271 - 1278MULLIKEN, RSPARR, RG
- [34] CHARGE-DISTRIBUTIONS AND CHEMICAL EFFECTS .27. MOLECULAR-ENERGIES OF CARBONYL-COMPOUNDS AND ETHERS, A CALCULATION INVOLVING THE CHARGES OF THE BOND-FORMING ATOMSCANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1982, 60 (06): : 792 - 800FLISZAR, SBERALDIN, MT
- [35] Computation of energies in the Lowest Landau LevelINTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2001, 15 (01): : 37 - 70Bazzali, DTruong, TT
- [36] MOLECULAR-ENERGIES AND GEOMETRIES FROM DENSITY-FUNCTIONAL THEORY - EXPLORING THE BASIS-SET LIMITS OF THE KOHN-SHAM EQUATION USING SEVERAL DENSITY FUNCTIONALSABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 63 - COMPSCHEINER, ACBAKER, JANDZELM, JW
- [37] Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energiesJOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (30): : 7223 - 7226Shakman, Katherine B.Mazziotti, David A.
- [38] Performance of molecular orbital methods and density functional theory in the computation of geometries and energies of metal aqua ionsJOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (04): : 1510 - 1527Rotzinger, FP