AB INITIO EQUILIBRIUM GEOMETRY AND CONFORMATIONAL ANALYSIS OF ACETAMIDEKLIMKOWSKI VJ; SELLERS HL; SCHAFFER L et al.1979; J. MOLEC. STRUCT.; NLD; DA. 1979; VOL. 54; PP. 299-301; BIBL. 6 REF.Article

AN AB INITIO STUDY OF THE STRUCTURE, IN-PLANE HARMONIC FORCE FIELD, AND FUNDAMENTAL VIBRATION FREQUENCIES OF CIS- AND TRANS-ACROLEINBOCK CW; GEORGE P; TRACHTMAN M et al.1979; J. MOLEC. SPECTROSC.; USA; DA. 1979; VOL. 78; NO 2; PP. 298-308; BIBL. 35 REF.Article

Ab initio studies of structural features not easily amenable to experiment. XXXVI: Structural investigation of the relative stability of trans and gauche acetylcholine and comparison with methyl acetateKLIMKOWSKI, V. J; SCHAFER, L; SCARSDALE, J et al.Journal of molecular structure. 1984, Vol 109, Num 3-4, pp 311-320, issn 0022-2860Article

GROUND-STATE GEOMETRIES OF CARBONYLCYANIDE AND DICYANODIAZOMETHANEKOSMUS W; KALCHER K; FLEMING GD et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 89; NO 3-4; PP. 317-324; BIBL. 29 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. THE MOLECULAR STRUCTURES OF TWO LOW-ENERGY FORMS OF UNIONIZED SERINEVAN ALSENOY C; SCARSDALE JN; SELLERS HL et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 80; NO 1; PP. 124-126; BIBL. 16 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. XIV: COMPLETE AB INITIO EQUILIBRIUM STRUCTURES OF SOME CONFORMATIONS OF DIMETHOXYMETHANEVAN ALSENOY C; SCHAEFER L; SCARSDALE JN et al.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 86; NO 1-2; PP. 111-117; BIBL. 16 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT: THE MOLECULAR STRUCTURES OF SOME HYDROGENFLUORIDE CLUSTERSSWEPSTON PN; COLBY S; SELLERS HL et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 72; NO 2; PP. 364-367; BIBL. 31 REF.Article

CUBIC FORCE CONSTANTS AND EQUILIBRIUM GEOMETRY OF METHANE FROM HARTREE-FOCK AND CORRELATED WAVE FUNCTIONS.PULAY P; MEYER W; BOGGS JE et al.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 68; NO 11; PP. 5077-5085; BIBL. 38 REF.Article

Ab initio studies of structural features not easily amenable to experiment. XXVI: Conformational analysis and study of the self-induced molecular asymmetry of glycerolVAN DEN ENDEN, L; VAN ELSENOY, C; SCARSDALE, J. N et al.Journal of molecular structure. 1983, Vol 104, Num 3-4, pp 471-487, issn 0022-2860Article

Local geometry maps and conformational transitions between low-energy conformers of N-acetyl-N'-methyl glycine amide: an ab initio study at the 4-21G level with gradient relaxed geometricsKLIMKOWSKI, V. J; SCHAFER, L; MOMANY, F. A et al.Journal of molecular structure. 1985, Vol 124, Num 1-2, pp 143-153, issn 0022-2860Article

STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY AB INITIO COMPUTATIONBOGGS JE; PANG F; PULAY P et al.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 3; PP. 344-353; BIBL. 35 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. II: THE INFLUENCE OF BOND DELOCALIZATION EFFECTS ON THE MOLECULAR STRUCTURES OF SOME LITHIUM FLUORIDE CLUSTERSSWEPSTON PN; SELLERS HL; SCHAEFER L et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 4; PP. 2372-2375; BIBL. 54 REF.Article

AB INITIO STRETCHING FORCE CONSTANTS FOR HCCH, FCCH AND CLCCH.BOTSCHWINA P; SRINISAVAN K; MEYER W et al.1978; MOLEC. PHYS.; GBR; DA. 1978; VOL. 35; NO 4; PP. 1177-1181; BIBL. 16 REF.Article

AB INITIO CALCULATIONS OF THE ELECTRONIC STRUCTURES OF DIMETHYLNITROSAMINE (DMN) AND ITS METABOLITE HYDROXYDIMETHYLNITROSAMINE (HDMN): A POSSIBLE INTERMEDIATE IN CARCINOGENESIS BY DMNSKANCKE A; THOMSON C.1982; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1982; VOL. 21; NO 2; PP. 431-443; BIBL. 59 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. XIX. MOLECULAR STRUCTURES AND CONFORMATIONAL ANALYSIS OF 2-AMINOETHANOLVAN ALSENOY C; SCARSDALE JN; WILLIAMS JO et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 86; NO 3; PP. 291-295; BIBL. 16 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. XX: STRUCTURAL ASPECTS OF ETHYL GROUPSVAN ALSENOY C; SCARSDALE JN; WILLIAMS JO et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 86; NO 4; PP. 365-376; BIBL. 27 REF.Article

A THEORETICAL STUDY OF THE MOLECULAR STRUCTURE OF TRIMETHYLENE SULFOXIDE WITH EMPHASIS ON THE LOCAL SYMMETRY OF THE METHYLENE GROUPSSKANCKE PN; BOGGS JE; BEVAN JW et al.1980; ACTA CHEM. SCAND., SER. A; ISSN 0302-4377; DNK; DA. 1980; VOL. 34; NO 3; PP. 223-227; BIBL. 15 REF.Article

AN AB INITIO INVESTIGATION OF THE HARMONIC FORCE FIELDS AND VIBRATIONAL FREQUENCIES OF ETHYLENE AND CIS- AND TRANS-1,2-DIFLUOROETHYLENEBOCK CW; GEORGE P; TRACHTMAN M et al.1979; J. MOLEC. SPECTROSC.; USA; DA. 1979; VOL. 76; NO 1-3; PP. 191-203; BIBL. 59 REF.Article

MINDO-FORCES CALCULATION OF MOLECULAR GEOMETRIES AND REACTION PATHS.KHALIL SM; MUTHANA SHANSHAL.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 1; PP. 23-37; BIBL. 36 REF.Article

STRUCTURE AND RELATIVE STABILITIES OF ISOMERS OF C₂H₂N⁺: AN AB INITIO MOLECULAR ORBITAL STUDYSWANTON DJ; BACSKAY GB; WILLETT GD et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 91; NO 3-4; PP. 313-323; BIBL. 41 REF.Article

EQUILIBRIUM GEOMETRY AND CONFORMATIONAL PREFERENCE OF TRICYCLO (3.1.0.0^2,4) HEXANESKANCKE PN.1982; ACTA CHEM. SCAND., SER. A; ISSN 0302-4377; DNK; DA. 1982; VOL. 36; NO 6; PP. 513-515; BIBL. 8 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. XXI: STRUCTURAL TRENDS IN THE C-H BOND DISTANCES AND C-C-H BOND ANGLES OF CYCLOHEXANECHIU NS; EWBANK JD; SCHAFER L et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 86; NO 4; PP. 397-399; BIBL. 14 REF.Article

AB INITIO COMPUTATION OF THE QUADRATIC FORCE FIELD OF DIBORANELISTER DG; NIVELLINI GD; PALMIERI P et al.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 85; NO 3-4; PP. 279-283; BIBL. 11 REF.Article

VIBRATIONAL FREQUENCIES FROM ANHARMONIC AB INITIO/EMPIRICAL POTENTIAL ENERGY FUNCTIONS: NITROSYL CHLORIDEBOTSCHWINA P; HAERTNER H; SAWODNY W et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 74; NO 1; PP. 156-159; BIBL. 14 REF.Article

AB INITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT. V: CONFORMATIONAL ANALYSIS OF KETO- AND ENOL-ACETONEBOWERS P; SCHAEFER L.1980; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1980; VOL. 69; PP. 233-240; BIBL. 17 REF.Article