ABINITIO HEATS OF FORMATION OF MEDIUM-SIZED HYDROCARBONS .4. PERHYDROTRIQUINACENE

被引:8
作者
SCHULMAN, JM
DISCH, RL
机构
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D O I
10.1016/S0040-4039(01)80909-6
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
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页码:5647 / 5650
页数:4
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共 15 条
[1]   CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].
ALLINGER, NL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134
[2]   THERMOCHEMISTRY, THERMODYNAMIC FUNCTIONS, AND MOLECULAR STRUCTURES OF SOME CYCLIC HYDROCARBONS [J].
BOYD, RH ;
SANWAL, SN ;
SHARYTEH.S ;
MCNALLY, D .
JOURNAL OF PHYSICAL CHEMISTRY, 1971, 75 (09) :1264-&
[3]   THERMOCHEMISTRY OF BRIDGED-RING SUBSTANCES - ENTHALPIES OF FORMATION OF SOME DIAMONDOID HYDROCARBONS AND OF PERHYDROQUINACENE - COMPARISONS WITH DATA FROM EMPIRICAL FORCE-FIELD CALCULATIONS [J].
CLARK, T ;
KNOX, TMO ;
MCKERVEY, MA ;
MACKLE, H ;
ROONEY, JJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (09) :2404-2410
[4]   ENTHALPY OF FORMATION OF PERHYDROQUINACENE AND A COMMENT ON STRAIN ENERGY OF DODECAHEDRANE [J].
CLARK, T ;
MCOKNOX, T ;
MACKLE, H ;
MCKERVEY, MA .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (16) :666-667
[5]  
CYVIN SJ, 1972, MOL STRUCTURES VIBRA
[6]   CRITICAL EVALUATION OF MOLECULAR MECHANICS [J].
ENGLER, EM ;
ANDOSE, JD ;
SCHLEYER, PV .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (24) :8005-8025
[7]  
ERMER O, 1981, ASPEKTE KRAFTFELDREC, P404
[8]   EFFECT OF D-FUNCTIONS ON MOLECULAR-ORBITAL ENERGIES FOR HYDROCARBONS [J].
HARIHARAN, PC ;
POPLE, JA .
CHEMICAL PHYSICS LETTERS, 1972, 16 (02) :217-+
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[10]  
HULER E, QCPE247 U IND PROGR