AB-INITIO STUDY OF HYDROGEN-BOND IN [H3N-H...NH3]+

被引：76

作者：

MERLET, P

PEYERIMH.SD

BUENKER, RJ

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1972年 / 94卷 / 24期

关键词：

D O I：

10.1021/ja00779a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：8301 / &

相关论文

共 37 条

[1] SCF WAVEFUNCTIONS FOR NH3 MOLECULE . POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FORCE CONSTANTS [J].

BODY, RG ;

MCCLURE, DS .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :4916-&

[2] The ionization potentials of ammonia and ammonia-d(3). Measured by photoelectron spectroscopy, and an indo calculation of these values [J].

Branton, G. R. ;

Frost, D. C. ;

Herring, F. G. ;

McDowell, C. A. ;

Stenhouse, L. A. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (08) :581-584

[3] LINGERING TIME OF PROTON IN WELLS OF DOUBLE-MINIMUM POTENTIAL OF HYDROGEN BONDS [J].

BRICKMANN, J ;

ZIMMERMANN, H .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1608-+

[4] THEORETICAL ANALYSIS OF EFFECTS OF HYDROGENATION IN HYDROCARBONS - ACCURATE SCF MO WAVEFUNCTIONS FOR C2H2 C2H4 AND C2H6 [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

WHITTEN, JL .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2029-+

[5] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .6. CHARGE-TRANSFER MECHANISM FOR NH3+HCL[--]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) :2323-&

[6] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .12. HYDROGEN BRIDGES IN GUANINE-CYTOSINE PAIR AND IN DIMERIC FORM OF FORMIC ACID [J].

CLEMENTI, E ;

MEHL, J ;

VONNIESS.W .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :508-&

[7] SCF-LCAO-MO WAVE FUNCTIONS FOR BIFLUORIDE ION [J].

CLEMENTI, E ;

MCLEAN, AD .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (03) :745-&

[8] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .7. INNER AND OUTER COMPLEX IN NH4CL FORMATION FROM NH3 AND HCL [J].

CLEMENTI, E ;

GAYLES, JN .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3837-&

[9] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3851-&

[10]

CORSET J, 1962, SPECTROCHIM ACTA A, V24, P2045

← 1 2 3 4 →