THIOFORMALDEHYDE RADICAL-ANION - PNO-CEPA AB-INITIO STUDY

被引：11

作者：

ROSMUS, P

BOCK, H

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1979年 / 07期

关键词：

D O I：

10.1039/c39790000334

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：334 / 335

页数：2

共 26 条

[1] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES [J].

AHLRICHS, R ;

LISCHKA, H ;

STAEMMLER, V ;

KUTZELNIGG, W .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234

[2] RADICAL IONS .28. TRIS(TRIMETHYLSILYLMETHYL)AMINIUM, .+N(CH2SI(CH3)3)3 - STABLE FLUXIONAL AMINIUM RADICAL CATION [J].

BOCK, H ;

KAIM, W ;

KIRA, M ;

OSAWA, H ;

SAKURAI, H .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1979, 164 (03) :295-304

[3] RADICAL IONS .14. THIATHIONE RADICAL-ANIONS - ARE (-S)2C=S GROUPS ELECTRON TRAPS [J].

BOCK, H ;

BRAHLER, G ;

TABATABAI, A ;

SEMKOW, A ;

GLEITER, R .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (10) :724-725

[4]

BOCK H, 1977, ANGEW CHEM, V89, P745

[5]

BRAHLER G, 1978, THESIS U FRANKFURT

[6] NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE [J].

BRUNA, PJ ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

CHEMICAL PHYSICS, 1974, 3 (01) :35-53

[7]

CAVA MP, UNPUBLISHED

[8] DETERMINATION OF ELECTRIC-DIPOLE MOMENT OF H2CS IN A1A2 EXCITED-STATE USING DYE-LASER ELECTRIC-FIELD SPECTROSCOPY [J].

DIXON, RN ;

WEBSTER, CR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 70 (02) :314-322

[9] 3500-A1A2 - X-1A1 TRANSITION OF FORMALDEHYDE-H2 D2 AND HD1 VIBRATIONAL AND ROTATIONAL ANALYSES [J].

JOB, VA ;

SETHURAMAN, V ;

INNES, KK .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 30 (03) :365-+

[10] MICROWAVE SPECTRUM, GROUND STATE STRUCTURE, AND DIPOLE MOMENT OF THIOFORMALDEHYDE [J].

JOHNSON, DR ;

POWELL, FX ;

KIRCHHOFF, WH .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 39 (01) :136-+

← 1 2 3 →