SIMPLEST HALOGEN ATOM PLUS ALKALI DIMER POTENTIAL SURFACE - F+LI2-]LIF+LI

被引:37
作者
PEARSON, PK
HUNT, WJ
BENDER, CF
SCHAEFER, HF
机构
[1] UNIV CALIF,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV CALIF,LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
关键词
D O I
10.1063/1.1679152
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:5358 / 5363
页数:6
相关论文
共 35 条
[1]  
[Anonymous], 1966, GAS PHASE REACTION R
[2]   POTENTIAL CURVES FOR HE2+ AND LI2+ [J].
BARDSLEY, JN .
PHYSICAL REVIEW A, 1971, 3 (04) :1317-&
[3]   POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE [J].
BENDER, CF ;
SCHAEFER, HF ;
PEARSON, PK ;
ONEIL, SV .
SCIENCE, 1972, 176 (4042) :1412-&
[4]   POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE [J].
BENDER, CF ;
SCHAEFER, HF ;
ONEIL, SV ;
PEARSON, PK .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4626-&
[5]   TRAJECTORY STUDIES OF HALOGEN ATOM-MOLECULE EXCHANGE REACTIONS [J].
BORNE, TB ;
BUNKER, DL .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4861-&
[6]  
Bunker D.L., 1971, METHODS COMPUTATIONA, V10, P287
[8]  
DAS G, 1966, J CHEM PHYS, V44, P287
[9]   HARTREE-FOCK SCF CALCULATION OF ACTIVATION ENERGIES FOR 2 SN2 REACTIONS [J].
DUKE, AJ ;
BADER, RFW .
CHEMICAL PHYSICS LETTERS, 1971, 10 (05) :631-&