POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE

被引:127
作者
BENDER, CF
SCHAEFER, HF
ONEIL, SV
PEARSON, PK
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D O I
10.1063/1.1677911
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O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:4626 / &
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共 28 条
[1]   ENERGY REQUIREMENTS FOR CHEMICAL REACTION - H+HF-!H2+F [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3849-&
[2]   NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&
[3]   PHOTOIONIZATION MASS SPECTROMETRIC STUDY OF F2, HF, AND DF [J].
BERKOWITZ, J ;
CHUPKA, WA ;
GUYON, PM ;
HOLLOWAY, JH ;
SPOHR, R .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (12) :5165-+
[4]   DISTRIBUTION OF REACTION PRODUCTS (THEORY) .7. D+ + H2-] DH + H+ USING AN AB INITIO POTENTIAL-ENERGY SURFACE [J].
CSIZMADIA, IG ;
POLANYI, JC ;
ROACH, AC ;
WONG, WH .
CANADIAN JOURNAL OF CHEMISTRY-BACK YEAR, 1969, 47 (21) :4097-+
[5]   OPTIMIZED VALENCE CONFIGURATIONS AND F2 MOLECULE [J].
DAS, G ;
WAHL, AC .
PHYSICAL REVIEW LETTERS, 1970, 24 (09) :440-&
[6]  
DUNNING TH, 1970, J CHEM PHYS, V53, P2723
[7]   PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .2. ENERGY SURFACE FOR LINEAR H3 [J].
EDMISTON, C ;
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (01) :192-&
[8]   Chemiluminescence. Notes on the luminescence of sodium vapour in highly dilute flames. [J].
Evans, MG ;
Polanyi, M .
TRANSACTIONS OF THE FARADAY SOCIETY, 1939, 35 (01) :0178-0184
[9]   THE REACTIONS OF FLUORINE ATOMS WITH ALKANES [J].
FETTIS, GC ;
KNOX, JH ;
TROTMANDICKENSON, AF .
JOURNAL OF THE CHEMICAL SOCIETY, 1960, (MAR) :1064-1071
[10]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&