POTENTIAL-ENERGY SURFACES FOR ION-MOLECULE REACTIONS - INTERSECTION OF 3A2 AND 2B1 SURFACES OF NH2+

被引：36

作者：

BENDER, CF

MEADOWS, JH

SCHAEFER, HF

机构：

[1] UNIV CALIF, LAWRENCE LIVERMORE LAB, DIV LASER, LIVERMORE, CA 94550 USA

[2] UNIV CALIF BERKELEY, LAWRENCE BERKELEY LAB, DEPT CHEM, BERKELEY, CA 94720 USA

来源：

FARADAY DISCUSSIONS | 1977年 / 62卷

关键词：

D O I：

10.1039/dc9776200059

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：59 / 66

页数：8

共 28 条

[1] SIMPLE KINETIC MODELS FROM ARRHENIUS TO COMPUTER [J].

BUNKER, DL .

ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (06) :195-201

[2] THEORETICAL STUDIES OF LOW-LYING ELECTRONIC STATES OF NH2+ AND CH2 [J].

CHU, SY ;

SIU, AKQ ;

HAYES, EF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :2969-&

[3]

CLEMENTI E, 1972, J CHEM PHYS, V57, P1088

[4] SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY [J].

DAVIDSON, ER .

CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :565-567

[5] GROUND-STATES OF MOLECULES .31. MINDO-3 STUDY OF CH2, NH2+, AND O2 [J].

DEWAR, MJS ;

HADDON, RC ;

LI, WK ;

THIEL, W ;

WEINER, PK .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (16) :4540-4545

[6] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[7]

DUNNING TH, 1971, J CHEM PHYS, V55, P3598

[8] DYNAMICS OF REACTION OF N+ WITH H2 .2. REACTIVE SCATTERING AT RELATIVE ENERGIES BELOW 3 EV [J].

FAIR, JA ;

MAHAN, BH .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (02) :515-519

[9] DYNAMICS OF O+-H2REACTION .1. REACTIVE SCATTERING OF O+(S-43-2) AT RELATIVE ENERGIES BELOW 15 EV [J].

GILLEN, KT ;

MAHAN, BH ;

WINN, JS .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5373-5384

[10] AB-INITIO POTENTIAL-ENERGY SURFACE FOR REACTION N+ +H2-]NH+ +H [J].

GITTINS, MA ;

HIRST, DM .

CHEMICAL PHYSICS LETTERS, 1975, 35 (04) :534-536

← 1 2 3 →