共 50 条
- [21] Binding force between clay mineral and water molecules by semi-empirical molecular orbital calculation SCIENTIFIC BASIS FOR NUCLEAR WASTE MANAGEMENT XXI, 1998, 506 : 423 - 430
- [23] CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10): : 4504 - 4515
- [25] SEMI-EMPIRICAL LCAO-SCF MOLECULAR ORBITAL CALCULATIONS FOR SELECTED HOMO-SUBSTITUTED BENZENES THEORETICA CHIMICA ACTA, 1968, 10 (04): : 342 - &
- [29] SIMULATED SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .1. TRANSFERABILITY OF FOCK MATRIX-ELEMENTS ACTA PHYSICA ET CHEMICA, 1979, 25 (3-4): : 113 - 127