STRUCTURAL AND VIBRATIONAL PROPERTIES OF NEOPENTANE AND TETRAMETHYLSILANE USING ABINITIO MO CALCULATIONS

被引:8
作者
GUTH, JR
HESS, AC
机构
关键词
D O I
10.1016/0301-0104(88)85079-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:29 / 37
页数:9
相关论文
共 19 条
[1]   RELATIVISTIC EFFECTS ON MOLECULAR-STRUCTURE - METHYL-DERIVATIVES OF THE 4TH MAIN-GROUP ELEMENTS [J].
ALMLOF, J ;
FAEGRI, K .
THEORETICA CHIMICA ACTA, 1986, 69 (5-6) :437-446
[2]   MOLECULAR STRUCTURES OF NEOPENTANE AND DI-TERT-BUTYLMETHANE BY VAPOR-PHASE ELECTRON-DIFFRACTION [J].
BARTELL, LS ;
BRADFORD, WF .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (01) :113-126
[3]   ELECTRON-DIFFRACTION STUDIES OF TETRAMETHYLSILANE AND HEXAMETHYLDISILANE, AND DISCUSSION OF LENGTHS OF SI-C BONDS [J].
BEAGLEY, B ;
MONAGHAN, JJ ;
HEWITT, TG .
JOURNAL OF MOLECULAR STRUCTURE, 1971, 8 (04) :401-&
[4]   C-C BOND IN NEO-PENTANE, BONDING RADIUS OF TERTIARY-BUTYL GROUP, AND THEIR BEARING ON BONDING HYPOTHESES [J].
BEAGLEY, B ;
BROWN, DP ;
MONAGHAN, JJ .
JOURNAL OF MOLECULAR STRUCTURE, 1969, 4 (2-4) :233-&
[5]  
BINKLEY JS, GAUSSIAN 82
[6]   PSEUDO-EXACT FORCE CONSTANTS FOR TETRAMETHYLS OF GROUP IVA METALS AND MOLECULAR-FORCE FIELDS FOR SOME TETRAHEDRAL MOLECULES OR IONS [J].
DUBLISH, AK ;
SRIVASTAVA, BB ;
SHARMA, DK ;
VERMA, UP ;
PANDEY, AN .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1977, 32 (01) :76-78
[7]   LOW-FREQUENCY MODES IN MOLECULAR CRYSTALS .6. METHYL TORSIONS AND BARRIERS TO INTERNAL ROTATION OF C(CH3)4, C(CD3)4, SI(CH3)4, GE(CH3)4, AND SN(CH3)4 [J].
DURIG, JR ;
CRAVEN, SM ;
BRAGIN, J .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (04) :2046-&
[8]   FORCE-FIELDS FOR SIF4 AND H4SIO4 - ABINITIO MOLECULAR-ORBITAL CALCULATIONS [J].
HESS, AC ;
MCMILLAN, PF ;
OKEEFFE, M .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (22) :5661-5665
[9]   NEUTRON INELASTIC-SCATTERING SPECTRUM AND VALENCE FORCE-FIELD FOR NEOPENTANE [J].
JOBIC, H ;
SPORTOUCH, S ;
RENOUPREZ, A .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 99 (01) :47-55
[10]  
KAILA R, 1978, B SOC CHIM BELG, V87, P93