ELECTRONIC-STRUCTURE AND VERTICAL EXCITATION SPECTRUM OF METHYLENE AMIDOGEN CH2N

被引：24
作者：
ADAMS, GF
YARKONY, DR
BARTLETT, RJ
PURVIS, GD
机构：
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 20218
[2] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 02期
关键词：
D O I：
10.1002/qua.560230212
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：437 / 446
页数：10
相关论文
共 27 条
[1]   FORMALDEHYDE - ELECTRONIC-STRUCTURE CALCULATIONS FOR THE S0 AND T1 STATES [J].
ADAMS, GF ;
BENT, GD ;
BARTLETT, RJ ;
PURVIS, GD .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (02) :834-842
[2]  
ADAMS GF, UNPUB ARRADCOM TECH
[3]  
ADAMS GF, 1977, POTENTIAL ENERGY SUR
[4]  
Anderson, COMMUNICATION
[5]   COMPARISON OF DIFFERENT METHODS IN DETERMINING ENERGIES AND GEOMETRIES OF OPEN-SHELL SYSTEMS [J].
BAIRD, NC ;
BARR, RF .
THEORETICA CHIMICA ACTA, 1974, 36 (02) :125-134
[6]   ELECTRON-SPIN RESONANCE AND BOND STRUCTURE OF H2CN [J].
BANKS, D ;
GORDY, W .
MOLECULAR PHYSICS, 1973, 26 (06) :1555-1559
[7]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[8]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[9]  
BAUSCHLICHER CW, 1981, J CHEM PHYS, V74, P2397
[10]   AB-INITIO UHF CALCULATIONS .6. ANISOTROPIC COUPLING CONSTANTS [J].
CLAXTON, TA ;
SMITH, NA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1971, 67 (583) :1859-&
123