FEATURES OF THE H2CO POTENTIAL-ENERGY HYPERSURFACE PERTINENT TO FORMALDEHYDE PHOTO-DISSOCIATION

被引:134
作者
GODDARD, JD
YAMAGUCHI, Y
SCHAEFER, HF
机构
[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
[2] UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
关键词
D O I
10.1063/1.442455
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:3459 / 3465
页数:7
相关论文
共 43 条
[1]  
ADAMS GS, UNPUBLISHED
[2]  
AVOURIS P, 1977, CHEM REV, V77, P794
[3]   LEAST-MOTION INSERTION REACTION CH-2A-1(1) + H-2-] CH-4 - THEORETICAL-STUDY OF A PROCESS FORBIDDEN BY ORBITAL SYMMETRY [J].
BAUSCHLICHER, CW ;
SCHAEFER, HF ;
BENDER, CF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (07) :1653-1658
[5]  
BOGGS JD, UNPUBLISHED
[6]   ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH [J].
BROOKS, BR ;
LAIDIG, WD ;
SAXE, P ;
GODDARD, JD ;
YAMAGUCHI, Y ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) :4652-4653
[7]   LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J].
BROOKS, BR ;
LAIDIG, WD ;
SAXE, P ;
HANDY, NC ;
SCHAEFER, HF .
PHYSICA SCRIPTA, 1980, 21 (3-4) :312-322
[8]   GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS [J].
BROOKS, BR ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) :5092-5106
[10]   POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF FORMALDEHYDE, H2CO(X1A1) [J].
CARTER, S ;
MILLS, IM ;
MURRELL, JN .
MOLECULAR PHYSICS, 1980, 39 (02) :455-469