A BOND-ORDER LIFH POTENTIAL-ENERGY SURFACE FOR 3D QUANTUM-MECHANICAL CALCULATIONS

被引：40

作者：

LAGANA, A

GERVASI, O

GARCIA, E

机构：

[1] UNIV PERUGIA,CTR CALCOLO,I-06100 PERUGIA,ITALY

[2] UNIV BILBAO,DEPT QUIM FIS,BILBAO 10,SPAIN

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 143卷 / 02期

关键词：

D O I：

10.1016/0009-2614(88)87033-7

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：174 / 180

页数：7

相关论文

共 27 条

[1] AN IMPROVEMENT OF THE LI+HF PES BASED ON A 3D QUASI-CLASSICAL TRAJECTORY TEST
ALVARINO, JM
HERNANDEZ, ML
GARCIA, E
LAGANA, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (06) : 3059 - 3067
[2] BAER M, 1986, THEORY CHEM REACTION, P167
[3] STUDY OF THE REACTION DYNAMICS OF LI+HF, HCL BY THE CROSSED MOLECULAR-BEAMS METHOD
BECKER, CH
CASAVECCHIA, P
TIEDEMANN, PW
VALENTINI, JJ
LEE, YT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) : 2833 - 2850
[4] Bowman J. M., 1986, THEORY CHEM REACTION, P47
[5] ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .7. APPLICATION TO REPULSIVE SURFACES
CARTER, S
MURRELL, JN
[J]. MOLECULAR PHYSICS, 1980, 41 (03) : 567 - 581
[6] POTENTIAL-ENERGY SURFACE FOR THE LI+HF-]LIF+H REACTION
CHEN, MML
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4376 - 4393
[7] NEW QUANTUM-DYNAMICAL APPROXIMATION FOR LIGHT-HEAVY-LIGHT CHEMICAL-REACTIONS IN 3 DIMENSIONS APPLICATION TO D+HC1(V=0,J)-]DC1(V'-LESS THAN OR EQUAL TO-1,J')+H
CLARY, DC
[J]. MOLECULAR PHYSICS, 1981, 44 (05) : 1083 - 1097
[8] QUANTAL SUDDEN CALCULATIONS ON THE EXCHANGE-REACTIONS OF VIBRATIONALLY EXCITED HBR (V=1) WITH H-ATOM AND D-ATOM IN 3 DIMENSIONS
CLARY, DC
[J]. CHEMICAL PHYSICS, 1983, 81 (03) : 379 - 391
[9] CLARY DC, 1986, THEORY CHEM REACTION, P359
[10] A NEW BOND-ORDER FUNCTIONAL FORM FOR TRIATOMIC-MOLECULES A FIT OF THE BEFH POTENTIAL-ENERGY
GARCIA, E
LAGANA, A
[J]. MOLECULAR PHYSICS, 1985, 56 (03) : 629 - 639