RELATION BETWEEN SINGLET TRIPLET GAPS AND BOND-ENERGIES

被引:286
作者
CARTER, EA [1 ]
GODDARD, WA III [1 ]
机构
[1] CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
关键词
HEAT; CF2; PHOTOIONIZATION;
D O I
10.1021/j100278a006
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:998 / 1001
页数:4
相关论文
共 18 条
[1]   STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2 [J].
BAUSCHLICHER, CW ;
SCHAEFER, HF ;
BAGUS, PS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) :7106-7110
[3]  
CARTER EA, UNPUB
[4]   PHOTOIONIZATION OF CH3 - HEAT OF FORMATION OF CH2 [J].
CHUPKA, WA ;
LIFSHITZ, C .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) :1109-&
[5]   X1A1,A3B1, AND A1B1 ELECTRONIC STATES OF SILYLENES - STRUCTURES AND VIBRATIONAL FREQUENCIES OF SIH2, SIHF, AND SIF2 [J].
COLVIN, ME ;
GREV, RS ;
SCHAEFER, HF ;
BICERANO, J .
CHEMICAL PHYSICS LETTERS, 1983, 99 (5-6) :399-405
[6]   DESCRIPTION OF CHEMICAL BONDING FROM ABINITIO CALCULATIONS [J].
GODDARD, WA ;
HARDING, LB .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1978, 29 :363-396
[7]   METHYLENE - ABINITIO VIBRONIC ANALYSIS AND REINTERPRETATION OF SPECTROSCOPIC AND NEGATIVE-ION PHOTOELECTRON EXPERIMENTS [J].
HARDING, LB ;
GODDARD, WA .
CHEMICAL PHYSICS LETTERS, 1978, 55 (02) :217-220
[8]   GENERALIZED VALENCE BOND DESCRIPTION OF SIMPLE ALKANES, ETHYLENE, AND ACETYLENE [J].
HAY, PJ ;
HUNT, WJ ;
GODDARD, WA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (24) :8293-&
[9]   A THEORETICAL-STUDY OF THE HEATS OF FORMATION OF SIHN, SICIN, AND SIHNCLM COMPOUNDS [J].
HO, P ;
COLTRIN, ME ;
BINKLEY, JS ;
MELIUS, CF .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (21) :4647-4654
[10]  
HO P, 1978, NATL STAND REF DATA