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- [41] AB-INITIO SCF-MO CALCULATIONS ON CARBANIONS - METHYL, ETHYL, VINYL, AND ETHYNYL ANIONSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (10) : 2634 - 2644WILLIAMS, JESTREITWIESER, A
- [42] TECHNIQUE FOR ORBITAL EXPONENT OPTIMIZATION IN AB-INITIO HF-SCF-LCAO-MO CALCULATIONSINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (04) : 547 - 557LOUBRIEL, GMSELSBY, RG
- [43] AB-INITIO LCAO MO SCF CI CALCULATIONS ON THE ELECTRONIC-STRUCTURE OF THE CYCLOPROPENYL CATIONBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1979, 52 (02) : 334 - 338TAKADA, TOHNO, K
- [44] Ab initio MO SCF calculations of ESCA shifts in sulphur-containing moleculesCHEMICAL PHYSICS LETTERS, 1970, 4 (08) : 471 - 475Gelius, U.Roos, B.Siegbahn, P.
- [45] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - POLYPEPTIDES OF GLYCINEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (14) : 4733 - 4744SHIPMAN, LLCHRISTOFFERSEN, RE
- [46] FROZEN DENSITY-FUNCTIONAL APPROACH FOR AB-INITIO CALCULATIONS OF SOLVATED MOLECULESJOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (30): : 8050 - 8053WESOLOWSKI, TAWARSHEL, A
- [47] HEATS OF FORMATION OF ORGANIC-MOLECULES BY AB-INITIO CALCULATIONS - ALKYL RADICALSJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1993, 6 (10) : 551 - 554LIU, RFALLINGER, NL
- [48] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HETEROATOM CHARACTERIZATIONSABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1971, (MAR-A): : 89 - &CHRISTOF.REGENSON, DWMAGGIORA, GM
- [49] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONSJOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01): : 239 - &CHRISTOF.REGENSON, DWMAGGIORA, GM
- [50] SMALL GAUSSIAN-BASIS SETS FOR AB-INITIO CALCULATIONS ON LARGE MOLECULESCHEMICAL PHYSICS LETTERS, 1979, 63 (01) : 145 - 150MEHLER, ELPAUL, CH