A POTENTIAL-ENERGY SURFACE STUDY OF THE 2A1 AND LOW-LYING DISSOCIATIVE STATES OF THE METHOXY RADICAL

被引:31
作者
JACKELS, CF
机构
关键词
D O I
10.1063/1.448801
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:311 / 322
页数:12
相关论文
共 61 条
[21]  
Herron J.T., 1979, NBS SPEC PUBL, V557
[22]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[23]   SPECTROSCOPY OF THE CH3O A2A1-X2E SYSTEM BY LASER-EXCITED FLUORESCENCE METHOD [J].
INOUE, G ;
AKIMOTO, H ;
OKUDA, M .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (03) :1769-1775
[24]   LASER-INDUCED FLUORESCENCE-SPECTRA OF CH3O [J].
INOUE, G ;
AKIMOTO, H ;
OKUDA, M .
CHEMICAL PHYSICS LETTERS, 1979, 63 (02) :213-216
[25]   AB-INITIO SCF STUDY OF GEOMETRIES OF METHYL RADICAL IN GROUND AND 2E EXCITED-STATES [J].
ISHIKAWA, Y ;
BINNING, RC .
CHEMICAL PHYSICS LETTERS, 1976, 40 (02) :342-346
[26]   ELECTRON-SPIN RESONANCE OF METHOXY RADICALS TRAPPED IN METHANOL X-IRRADIATED AT 4.2 K [J].
IWASAKI, M ;
TORIYAMA, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (06) :1964-1965
[27]   ACCURACY OF ENERGY EXTRAPOLATION IN MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS [J].
JACKELS, CF ;
SHAVITT, I .
THEORETICA CHIMICA ACTA, 1981, 58 (02) :81-96
[29]   ELECTRON PHOTODETACHMENT FROM ALIPHATIC MOLECULAR ANIONS - GAS-PHASE ELECTRON-AFFINITIES OF METHOXYL, TERT-BUTOXYL, AND NEOPENTOXYL RADICALS [J].
JANOUSEK, BK ;
ZIMMERMAN, AH ;
REED, KJ ;
BRAUMAN, JI .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (19) :6142-6148
[30]   PHOTOCHEMISTRY OF MINOR CONSTITUENTS IN TROPOSPHERE [J].
LEVY, H .
PLANETARY AND SPACE SCIENCE, 1973, 21 (04) :575-591