CORRELATION-CONSISTENT CONFIGURATION-INTERACTION - ACCURATE BOND-DISSOCIATION ENERGIES FROM SIMPLE WAVE-FUNCTIONS

被引：105
作者：
CARTER, EA [1 ]
GODDARD, WA [1 ]
机构：
[1] CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91125 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 05期
关键词：
D O I：
10.1063/1.453957
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：3132 / 3140
页数：9
相关论文
共 58 条
[1]   BOND-ENERGY BOND ORDER RELATIONS IN TRANSITION-METAL BONDS - VANADIUM [J].
ARISTOV, N ;
ARMENTROUT, PB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (14) :4065-4066
[2]   REACTION-MECHANISMS AND THERMOCHEMISTRY OF V++C2H2P (P = 1-3) [J].
ARISTOV, N ;
ARMENTROUT, PB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (08) :1806-1819
[3]   PERIODIC TRENDS IN TRANSITION METAL-HYDROGEN, METAL-CARBON, AND METAL-OXYGEN BOND-DISSOCIATION ENERGIES - CORRELATION WITH REACTIVITY AND ELECTRONIC-STRUCTURE [J].
ARMENTROUT, PB ;
HALLE, LF ;
BEAUCHAMP, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (21) :6501-6502
[4]   ION-BEAM STUDIES OF THE REACTIONS OF ATOMIC COBALT IONS WITH ALKANES - DETERMINATION OF METAL-HYDROGEN AND METAL-CARBON BOND-ENERGIES AND AN EXAMINATION OF THE MECHANISM BY WHICH TRANSITION-METALS CLEAVE CARBON-CARBON BONDS [J].
ARMENTROUT, PB ;
BEAUCHAMP, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (04) :784-791
[5]   PROTON AFFINITY OF DICHLOROCARBENE [J].
AUSLOOS, P ;
LIAS, SG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (14) :4594-4595
[6]  
BAIR RA, 1981, THESIS CALTECH
[7]  
BAIR RA, UNPUB DEV CLOSED SHE
[8]  
BAIR RA, UNPUB
[9]   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
[10]   CHEMISTRY WITHOUT SOLVENTS - PROPERTIES AND REACTIONS OF ORGANOMETALLIC COMPLEXES IN THE GAS-PHASE [J].
BEAUCHAMP, JL ;
STEVENS, AE ;
CORDERMAN, RR .
PURE AND APPLIED CHEMISTRY, 1979, 51 (05) :967-978
123456