THEORETICAL-STUDIES OF THE POTENTIAL SURFACE FOR THE F+H-2-]HF+H REACTION

被引：77

作者：

BAUSCHLICHER, CW ^{[1
]}

WALCH, SP ^{[1
]}

LANGHOFF, SR ^{[1
]}

TAYLOR, PR ^{[1
]}

JAFFE, RL ^{[1
]}

机构：

[1] ELORET INST, SUNNYVALE, CA 94087 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 03期

关键词：

D O I：

10.1063/1.454098

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

页码：1743 / 1751

页数：9

共 34 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
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[4] ALMLOF J, MOLECULE VECTORIZED
[5] ON THE ELECTRON-AFFINITY OF THE OXYGEN ATOM
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[6] FULL CL STUDIES OF THE COLLINEAR TRANSITION-STATE FOR THE REACTION F+H-2-]HF+H
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) : 858 - 861
[7] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE
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[J]. SCIENCE, 1972, 176 (4042) : 1412 - &
[8] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) : 4626 - &
[9] SINGLET AND TRIPLET ENERGY SURFACES OF NIH2
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) : 5682 - 5692
[10] THEORETICAL CHARACTERIZATION OF NEGATIVE-IONS - CALCULATION OF THE ELECTRON-AFFINITIES OF CARBON, OXYGEN, AND FLUORINE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) : 6046 - 6056

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