COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD AND EXTERNALLY CONTRACTED CL POTENTIAL-ENERGY CURVES FOR THE (CH3F)F- AND (CH3CL)CL- ANIONS

被引:23
作者
HOTOKKA, M [1 ]
ROOS, BO [1 ]
EBERSON, L [1 ]
机构
[1] CHEM CTR, DEPT ORGAN CHEM 3, S-22100 LUND, SWEDEN
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1986年 / 12期
关键词
D O I
10.1039/p29860001979
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:1979 / 1985
页数:7
相关论文
共 91 条
[81]   THEORETICAL STUDIES OF CH3, CH3(+) AND CH3(-) USING CORRELATED WAVEFUNCTIONS [J].
SURRATT, GT ;
GODDARD, WA .
CHEMICAL PHYSICS, 1977, 23 (01) :39-50
[82]   ELECTRON-LOSS AND ELECTRON-CAPTURE PROCESSES IN IRRADIATED SYSTEMS [J].
SYMONS, MCR .
PURE AND APPLIED CHEMISTRY, 1981, 53 (01) :223-238
[83]   ALKYL-RADICAL CHLORIDE-ION ADDUCTS FORMED IN THE RADIOLYSIS OF CHLOROALKANES - AN ELECTRON-SPIN RESONANCE STUDY [J].
SYMONS, MCR ;
SMITH, IG .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1985, 81 :1095-1100
[84]   ORGANIC-REACTIONS VIA ELECTROCHEMICALLY GENERATED INTERMEDIATES [J].
UTLEY, JHP .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1981, 302 (1468) :237-245
[85]  
UTLEY JHP, 1980, ANN REP PROG ORG C B, V77, P79
[86]  
VANDUIJNEVELDT FB, 1971, IBM RJ945 RES LAB RE
[87]   HEAT OF FORMATION OF THE CHCL2 RADICAL - BOND-DISSOCIATION ENERGIES IN CHLOROMETHANES AND CHLOROETHANES [J].
WEISSMAN, M ;
BENSON, SW .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (02) :243-244
[88]  
WIESENER K, 1984, WISS FORTSCHR, V34, P198
[89]   NOVEL RADICAL-ANIONS AND HYDROGEN-ATOM TUNNELING IN THE SOLID-STATE [J].
WILLIAMS, F ;
SPRAGUE, ED .
ACCOUNTS OF CHEMICAL RESEARCH, 1982, 15 (12) :408-415
[90]   ESTIMATION OF ACTIVATION BARRIERS FOR THE ALKALI + METHYL HALIDE REACTIONS VIA THE ELECTRON-JUMP MODEL [J].
WU, KT .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) :1043-1045