ONE-CONFIGURATION AND 2-CONFIGURATION HARTREE-FOCK LIMIT PREDICTIONS FOR SINGLET-TRIPLET SEPARATION IN METHYLENE AND SILYLENE

被引:156
作者
MEADOWS, JH
SCHAEFER, HF
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY, LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
关键词
D O I
10.1021/ja00431a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4383 / 4386
页数:4
相关论文
共 36 条
[11]   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
[12]  
FREY HM, 1972, CHEM COMMUN, P1024
[13]  
GASPAR PP, 1971, CARBENE CHEMISTRY
[14]   INSERTION OF METHYLENE INTO ALKANES [J].
HALBERSTADT, ML ;
MCNESBY, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (14) :3417-+
[15]   STRUCTURE OF METHYLENE [J].
HARRISON, JF .
ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (11) :378-384
[16]   VIBRATIONAL DEACTIVATION OF SINGLET METHYLENE [J].
HASE, WL ;
PHILLIPS, RJ ;
SIMONS, JW .
CHEMICAL PHYSICS LETTERS, 1971, 12 (01) :161-+
[17]   GENERALIZED VALENCE BOND WAVEFUNCTIONS FOR LOW LYING STATES OF METHYLENE [J].
HAY, PJ ;
HUNT, WJ ;
GODDARD, WA .
CHEMICAL PHYSICS LETTERS, 1972, 13 (01) :30-&
[19]  
HERZBERG G, 1966, ELECTRONIC SPECTRA E
[20]   SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2 [J].
HUNT, WJ ;
HAY, PJ ;
GODDARD, WA III .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) :738-+