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- [41] SYMMETRY ADAPTATION IN MOLECULAR ABINITIO CALCULATIONS - AN ALTERNATIVE APPROACHCOMPUTERS & CHEMISTRY, 1981, 5 (2-3): : 79 - 84RAMEK, MFRITZER, HP
- [42] FURTHER ABINITIO CALCULATIONS ON THE MOLECULAR-STRUCTURE OF METHYLCYCLOPROPANEACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (04): : 337 - 339SKANCKE, A
- [43] MOLECULAR-DYNAMICS AND ABINITIO TOTAL ENERGY CALCULATIONSPHYSICAL REVIEW LETTERS, 1986, 56 (24) : 2656 - 2656PAYNE, MCJOANNOPOULOS, JDALLAN, DCTETER, MPVANDERBILT, DH
- [44] ABINITIO MOLECULAR-ORBITAL CALCULATIONS USING THE PCAMERICAN LABORATORY, 1991, 23 (14) : 20 - &ROGERS, DWMCLAFFERTY, FJ
- [45] IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONSJOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11): : 4445 - 4450CHRISTIANSEN, PALEE, YSPITZER, KS
- [46] ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON OXIRANYLIDENE AND ETHYNOLCHEMICAL PHYSICS LETTERS, 1978, 54 (03) : 510 - 513STRAUSZ, OPGOSAVI, RKGUNNING, HE
- [47] SOME APPLICATIONS OF ABINITIO CALCULATIONS IN MOLECULAR-SPECTROSCOPYJOURNAL OF MOLECULAR STRUCTURE, 1992, 266 : 59 - 64DURIG, JRLEE, MJBADAWI, HMSULLIVAN, JFDURIG, DT
- [48] ABINITIO AND SEMIEMPIRICAL CALCULATIONS ON THE INTERACTION OF TETRAMETHYLAMMONIUM WITH A WATER MOLECULEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 98 : 311 - 319KOLLER, JHADZI, D
- [49] ALTERNATIVE TO PSEUDOPOTENTIALS - CORE-VALENCE APPROXIMATION SCHEME FOR MOLECULAR CALCULATIONSCHEMICAL PHYSICS LETTERS, 1980, 69 (02) : 219 - 221CAMPBELL, JCHILLIER, IHSAUNDERS, VR
- [50] ABINITIO CALCULATIONS OF SILICON-HALOGEN-SILICON DOUBLE BRIDGESMONATSHEFTE FUR CHEMIE, 1992, 123 (1-2): : 17 - 24JENICHEN, A