共 50 条
- [41] APPLICATION OF SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS - INDO - TO INTERPRETATION OF MOSSBAUER SPECTRAL DATAABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1973, : 165 - +LEFELHOC.JFFEATHERS.DCSHILLADY, DD
- [42] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON RUTHENIUM(III) AND RHODIUM(III) OCTAHEDRAL COMPLEXESCHEMICAL PHYSICS LETTERS, 1976, 39 (01) : 194 - 198MEHROTRA, PKMANOHARAN, PT
- [43] ENERGY PARAMETERS IN POLYPEPTIDES .2. SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS FOR MODEL PEPTIDESJOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (02): : 420 - &YAN, JFMOMANY, FAHOFFMANN, RSCHERAGA, HA
- [45] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON CLOSED-SHELL AND OPEN-SHELL HYDROCARBONSJOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (03): : 463 - &LO, DHWHITEHEA.MA
- [46] ENERGY PARAMETERS IN POLYPEPTIDES .2. SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS FOR MODEL PEPTIDESABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1969, (SEP): : B172 - &YAN, JFMOMANY, FAHOFFMAN, RSCHERAGA, HA
- [47] ROTATIONAL BARRIERS IN O-(N,N-DIMETHYLCARBAMOYL) OXIMES - EXPERIMENTAL RESULTS AND NONEMPIRICAL MOLECULAR ORBITAL (NEMO) CALCULATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (06): : 1155 - &BUSHWELL.CHSTEVENSO.PEGOLINI, JONEIL, JW
- [48] ARCANA - A SEMIEMPIRICAL MOLECULAR ORBITAL PROGRAMBULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1970, 15 (11): : 1336 - &CUSACHS, LCMCCURDY, CW
- [49] Perspectives on semiempirical molecular orbital theoryADVANCES IN CHEMICAL PHYSICS, VOL XCIII: NEW METHODS IN COMPUTATIONAL QUANTUM MECHANICS, 1996, 93 : 703 - 757Thiel, W
- [50] BARRIERS TO INTERNAL ROTATION IN THIOAMIDES . EXPERIMENTAL RESULTS AND MOLECULAR ORBITAL CALCULATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (07): : 2318 - +SANDSTROM, J