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- [31] MOLECULAR GEOMETRIES, VIBRATIONAL FREQUENCIES, FORCE-FIELDS AND MEAN-SQUARE AMPLITUDES OF SILICON DIHALIDES DETERMINED FROM AB-INITIO CALCULATIONSJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 102 : 73 - 83SPOLITI, MRAMONDO, FBENCIVENNI, LKOLANDAIVEL, PKUMARESAN, R
- [32] MOLECULAR VIBRATIONAL-CONSTANTS OF SOME SIMPLE POLYATOMIC-MOLECULES - APPROXIMATE FORCE-FIELDS OF DI-IODOMETHANE AND IODOFORMSOUTH AFRICAN JOURNAL OF CHEMISTRY, 1988, 41 (03) : 115 - 122PARSONS, ASWEAVING, JSFORD, TA
- [33] CRYSTAL AND MOLECULAR-STRUCTURES OF SOME CHLORINATED ORGANIC-COMPOUNDSACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 : S111 - S111SOLANS, XGALI, SMIRAVITLLES, CPLANA, FALTABA, MF
- [34] ABINITIO COMPUTATION OF FORCE CONSTANTS .4. THEORETICAL ANHARMONIC-FORCE FIELDS AND VIBRATIONAL FREQUENCIES OF METHYLAMINE, METHANOL, AND METHANETHIOLJOURNAL OF CHEMICAL PHYSICS, 1977, 67 (09): : 4181 - 4193SCHLEGEL, HBWOLFE, S
- [35] INTERPRETATION OF THE VIBRATIONAL-SPECTRA OF MATRIX-ISOLATED URACIL FROM SCALED ABINITIO QUANTUM-MECHANICAL FORCE-FIELDSINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 799 - 815HARSANYI, LCSASZAR, PCSASZAR, ABOGGS, JE
- [36] ABINITIO STUDY OF THE STRUCTURE OF FORCE-FIELDS AND VIBRATIONAL-SPECTRA OF LIAFK+ (A-LI, BE, B) PHOSPHORUS CONTAINING IONSZHURNAL NEORGANICHESKOI KHIMII, 1983, 28 (10): : 2477 - 2481OZEROVA, VMSOLOMONIK, VG
- [37] ACCURATE AB-INITIO QUARTIC FORCE-FIELDS, VIBRATIONAL FREQUENCIES, AND HEATS OF FORMATION FOR FCN, FNC, CLCN, AND CLNCJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (43): : 15858 - 15863LEE, TJMARTIN, JMLDATEO, CETAYLOR, PR
- [38] FORCE-FIELDS FOR SIF4 AND H4SIO4 - ABINITIO MOLECULAR-ORBITAL CALCULATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (22): : 5661 - 5665HESS, ACMCMILLAN, PFOKEEFFE, M
- [39] A COMPARATIVE ABINITIO STUDY OF AMIDES .2. FORCE-FIELDS AND VIBRATIONAL ASSIGNMENTS FOR N-METHYLACETAMIDE AND CIS-N-METHYLFORMAMIDEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1987, 38 (1-2): : 103 - 120BALAZS, A
- [40] MOLECULAR-STRUCTURES AND CONFORMATIONS OF DIETHYLAMINE AND TRIETHYLAMINE AS DETERMINED BY GAS ELECTRON-DIFFRACTION, ABINITIO CALCULATIONS, AND VIBRATIONAL SPECTROSCOPYJOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (11): : 4389 - 4396TAKEUCHI, HKOJIMA, TEGAWA, TKONAKA, S