SEMIEMPIRICAL VB CALCULATION OF (H2I2) INTERACTION POTENTIAL

被引：128

作者：

RAFF, LM

STIVERS, L

PORTER, RN

THOMPSON, DL

SIMS, LB

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 07期

关键词：

D O I：

10.1063/1.1673509

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：3449 / &

共 27 条

[1] COMMENT ON ACTIVATION ENERGY FOR H+H2 REACTION [J].

CASHION, JK ;

HERSCHBACH, DR .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (07) :2199-&

[2] MECHANISM OF HYDROGEN-IODINE REACTION AT LOW TEMPERATURE [J].

CUSACHS, LC ;

KRIEGER, M ;

MCCURDY, CW .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3740-&

[3]

CUSACHS LC, PRIVATE COMMUNICATIO

[4] METHOD OF DIATOMICS IN MOLECULES .3. H2X + X2H (X-H,F,CL,BR, + I) [J].

ELLISON, FO ;

PATEL, JC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (11) :2115-&

[5]

EYRING H, 1944, QUANTUM CHEM, pCH13

[6]

HERZBERG G, 1945, INFRARED RAMAN SPECT, P188

[7] TRANSITION STATE FOR HYDROGEN-IODINE AND HYDROGEN EXCHANGE REACTIONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3739-&

[8] EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].

KARPLUS, M ;

SHARMA, RD .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&

[9]

KARPLUS M, 1967, J AM CHEM S, V89, P5064

[10] ACCURATE ELECTRONIC WAVE FUNCTIONS FOR THE H-2 MOLECULE [J].

KOLOS, W ;

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :219-232

← 1 2 3 →