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- [21] AB-INITIO CALCULATIONS ON LARGE MOLECULES .3. AB-INITIO AND SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON 1,6-METHANO[10]ANNULENETETRAHEDRON LETTERS, 1975, (11) : 933 - 936GRUNEWALD, GLUWAYDAH, IMCHRISTOFFERSEN, RESPANGLER, D
- [22] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - POLYPEPTIDES OF GLYCINEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (14) : 4733 - 4744SHIPMAN, LLCHRISTOFFERSEN, RE
- [23] FROZEN DENSITY-FUNCTIONAL APPROACH FOR AB-INITIO CALCULATIONS OF SOLVATED MOLECULESJOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (30): : 8050 - 8053WESOLOWSKI, TAWARSHEL, A
- [24] HEATS OF FORMATION OF ORGANIC-MOLECULES BY AB-INITIO CALCULATIONS - ALKYL RADICALSJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 1993, 6 (10) : 551 - 554LIU, RFALLINGER, NL
- [25] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONSJOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01): : 239 - &CHRISTOF.REGENSON, DWMAGGIORA, GM
- [26] 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
- [27] SMALL GAUSSIAN-BASIS SETS FOR AB-INITIO CALCULATIONS ON LARGE MOLECULESCHEMICAL PHYSICS LETTERS, 1979, 63 (01) : 145 - 150MEHLER, ELPAUL, CH
- [29] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - OXYGEN-CONTAINING MOLECULESJOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07): : 3503 - +CHENEY, BVCHRISTOF.RE
- [30] AB-INITIO CALCULATIONS OF BONDING IN KRYPTON DIFLUORIDEJOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1970, (14): : 884 - &COLLINS, GADCRUICKSH.DWBREEZE, A