ABINITIO MOLECULAR-ORBITAL STUDIES OF CH2O22+ ISOMERS

被引:8
作者
KOCH, W
SCHWARZ, H
机构
关键词
D O I
10.1016/0009-2614(86)87075-0
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:443 / 446
页数:4
相关论文
共 22 条
[1]  
AST T, 1981, B SOC CHIM BEOGRAD, V46, P135
[2]  
BINKLEY JS, 1984, GAUSSIAN 82
[3]   METHYLENEOXONIUM AND HYDROXYMETHYLENE DICATIONS - DICATIONIC ANALOGS OF ETHYLENE AND ACETYLENE [J].
BOUMA, WJ ;
RADOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (16) :5484-5486
[4]   IONIZED OXYCARBENES - [COH]+, [HCOH]+., [C(OH)2]+., [HCO2]+, AND [COOH]+, THEIR GENERATION, IDENTIFICATION, HEAT OF FORMATION, AND DISSOCIATION CHARACTERISTICS [J].
BURGERS, PC ;
MOMMERS, AA ;
HOLMES, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (19) :5976-5979
[5]   STRIPPING REACTIONS OF GASEOUS IONS IN MASS-SPECTROMETER [J].
COOKS, RG ;
BEYNON, JH ;
AST, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (03) :1004-+
[6]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[7]  
Jennings K. R., 1968, INT J MASS SPECTROM, V1, P227
[8]   COMBINED EXPERIMENTAL AND ABINITIO MOLECULAR-ORBITAL STUDIES ON GASEOUS OH2+ SPECIES (N = 1-4) [J].
KOCH, W ;
HEINRICH, N ;
SCHWARZ, H ;
MAQUIN, F ;
STAHL, D .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 1985, 67 (03) :305-316
[9]  
KOCH W, 1985, CHIMIA, V39, P376
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].
KRISHNAN, R ;
BINKLEY, JS ;
SEEGER, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654