THEORETICAL-STUDIES ON THE BARRIERS FOR INTERNAL-ROTATION OF THE METHYL-GROUPS IN THE TERT-BUTYL RADICAL

被引:30
作者
PACANSKY, J
YOSHIMINE, M
机构
关键词
D O I
10.1021/j100400a050
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 ;
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页码:1980 / 1983
页数:4
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共 9 条
[1]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[2]  
DUPUIS M, 1980, NAT RES COMPUT CHEM, V1
[3]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[4]   INFRARED MATRIX-ISOLATION STUDIES ON THE TERT-BUTYL RADICAL [J].
PACANSKY, J ;
CHANG, JS .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) :5539-5546
[5]   STUDY OF SPECTRA AND RECOMBINATION KINETICS OF ALKYL RADICALS BY MOLECULAR MODULATION SPECTROMETRY .2. RECOMBINATION OF ETHYL, ISOPROPYL AND TERT-BUTYL RADICALS AT ROOM-TEMPERATURE AND TERT-BUTYL RADICALS BETWEEN 250 AND 450 K [J].
PARKES, DA ;
QUINN, CP .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1976, 72 :1952-1971
[6]   ABSOLUTE RATE CONSTANT FOR THE METATHESIS TERT-C4H9.+DI-]C4H9D+I. AND THE HEAT OF FORMATION OF THE TERT-BUTYL RADICAL [J].
ROSSI, M ;
GOLDEN, DM .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1979, 11 (09) :969-976
[7]   CALCULATION OF THE FREQUENCIES AND INTENSITIES IN THE INFRARED-SPECTRA OF MATRIX-ISOLATED TERT-BUTYL RADICAL AND ISOBUTANE [J].
SCHRADER, B ;
PACANSKY, J ;
PFEIFFER, U .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (18) :4069-4073
[8]   THERMAL-DECOMPOSITION OF HEXAMETHYLETHANE IN A FLOW SYSTEM [J].
WALKER, JA ;
TSANG, W .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1979, 11 (08) :867-882
[9]   THEORETICAL-STUDIES ON THE STRUCTURE OF ISOBUTANE AND THE TERTIARY-BUTYL RADICAL [J].
YOSHIMINE, M ;
PACANSKY, J .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (09) :5168-5173