THE F + H-2 POTENTIAL-ENERGY SURFACE - THE ECSTASY AND THE AGONY

被引:119
作者
SCHAEFER, HF [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
关键词
D O I
10.1021/j100271a006
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
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页码:5336 / 5343
页数:8
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共 102 条
[1]  
ANDERSON JB, 1980, ADV CHEM PHYS, V41, P229
[2]   TRANSLATIONAL ENERGY-DISTRIBUTION IN PRODUCTS OF SOME EXOTHERMIC REACTIONS [J].
ANLAUF, KG ;
CHARTERS, PE ;
HORNE, DS ;
MACDONALD, RG ;
MAYLOTTE, DH ;
POLANYI, JC ;
SKRLAO, WJ ;
TARDY, DC ;
WOODALL, KB .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :4091-+
[3]  
[Anonymous], 1966, GAS PHASE REACTION R
[4]   EFFECT OF CHANGING REAGENT ENERGY .10. VIBRATIONAL THRESHOLD ENERGIES FOR ALTERNATIVE REACTION PATHS HF(V)+D-]F+HD AND -]H+DF [J].
BARTOSZEK, FE ;
MANOS, DM ;
POLANYI, JC .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (02) :933-935
[5]   ISOTOPE EXCHANGE RATES .3. HOMOGENEOUS FOUR-CENTER REACTION H2+D2 [J].
BAUER, SH ;
OSSA, E .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (02) :434-&
[6]   NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&
[7]   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-&
[8]   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-&
[9]  
BENDER CF, 1975, J CHEM PHYS, V62, P1189
[10]   F+H2, D2, HD REACTIONS - CHEMICAL LASER DETERMINATION OF PRODUCT VIBRATIONAL-STATE POPULATIONS AND F+HD INTRAMOLECULAR KINETIC ISOTOPE-EFFECT [J].
BERRY, MJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6229-6253