THE EQUILIBRIUM GEOMETRY AND SOME SPECTROSCOPIC CONSTANTS OF C-5 FROM LARGE-SCALE AB-INITIO CALCULATIONS

被引：26

作者：

BOTSCHWINA, P

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 01期

关键词：

D O I：

10.1063/1.468090

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：853 / 854

页数：2

共 24 条

[1] VIBRATIONALLY RESOLVED SPECTRA OF C2-C-11 BY ANION PHOTOELECTRON-SPECTROSCOPY [J].

ARNOLD, DW ;

BRADFORTH, SE ;

KITSOPOULOS, TN ;

NEUMARK, DM .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) :8753-8764

[2] DETECTION OF C-5 IN THE CIRCUMSTELLAR SHELL OF IRC+10216 [J].

BERNATH, PF ;

HINKLE, KH ;

KEADY, JJ .

SCIENCE, 1989, 244 (4904) :562-564

[3] CALCULATED SPECTROSCOPIC CONSTANTS AND THE EQUILIBRIUM GEOMETRY OF HCNH+ [J].

BOTSCHWINA, P ;

HEYL, A ;

HORN, M ;

FLUGGE, J .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1994, 163 (01) :127-137

[4] THE EQUILIBRIUM GEOMETRY AND SPECTROSCOPIC CONSTANTS OF CYANOGEN CALCULATED BY THE SINGLE, DOUBLE, AND PERTURBATIVE TRIPLE EXCITATION COUPLED-CLUSTER METHOD [J].

BOTSCHWINA, P .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (08) :6217-6218

[5] EQUILIBRIUM GEOMETRY OF HC3N [J].

BOTSCHWINA, P ;

HORN, M ;

SEEGER, S ;

FLUGGE, J .

MOLECULAR PHYSICS, 1993, 78 (01) :191-198

[6] A THEORETICAL INVESTIGATION OF C5 [J].

BOTSCHWINA, P ;

SEBALD, P .

CHEMICAL PHYSICS LETTERS, 1989, 160 (5-6) :485-493

[7] ABINITIO SPECTROSCOPIC CONSTANTS AND THE EQUILIBRIUM GEOMETRY OF HCCF [J].

BOTSCHWINA, P ;

OSWALD, M ;

FLUGGE, J ;

HEYL, A ;

OSWALD, R .

CHEMICAL PHYSICS LETTERS, 1993, 209 (1-2) :117-125

[8]

DEEGAN M, UNPUB

[9] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .1. THE ATOMS BORON THROUGH NEON AND HYDROGEN [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02) :1007-1023

[10] STRUCTURE OF PROPADIENYLIDENE, H2CCC [J].

GOTTLIEB, CA ;

KILLIAN, TC ;

THADDEUS, P ;

BOTSCHWINA, P ;

FLUGGE, J ;

OSWALD, M .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (06) :4478-4485

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