METHYLENE - ABINITIO VIBRONIC ANALYSIS AND REINTERPRETATION OF SPECTROSCOPIC AND NEGATIVE-ION PHOTOELECTRON EXPERIMENTS

被引:95
作者
HARDING, LB
GODDARD, WA
机构
关键词
D O I
10.1016/0009-2614(78)87005-5
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
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页码:217 / 220
页数:4
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共 21 条
[1]  
BAUSCHLICHER CW, UNPUBLISHED
[2]   SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE [J].
BENDER, CF ;
ALLEN, LC ;
SCHAEFER, HF ;
FRANCESC.DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :6888-+
[3]   CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE [J].
CARR, RW ;
EDER, TW ;
TOPOR, MG .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4716-&
[5]   FURTHER KINETIC EVIDENCE FOR ENERGY SEPARATION BETWEEN TRIPLET AND SINGLET METHYLENE [J].
FREY, HM ;
KENNEDY, GJ .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (06) :233-234
[6]   ABINITIO STUDIES ON SINGLET-TRIPLET SPLITTING OF METHYLENE (CH2) [J].
HARDING, LB ;
GODDARD, WA .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (04) :1777-1779
[7]   STRUCTURE OF METHYLENE [J].
HARRISON, JF .
ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (11) :378-384
[8]   ELECTRONIC STRUCTURE OF METHYLENE [J].
HARRISON, JF ;
ALLEN, LC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :807-&
[9]   GENERALIZED VALENCE BOND WAVEFUNCTIONS FOR LOW LYING STATES OF METHYLENE [J].
HAY, PJ ;
HUNT, WJ ;
GODDARD, WA .
CHEMICAL PHYSICS LETTERS, 1972, 13 (01) :30-&
[10]   SPECTRUM AND STRUCTURE OF SINGLET CH2 [J].
HERZBERG, G ;
JOHNS, JWC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1441) :107-&