ChemInform Abstract: Theoretical Study of the Properties of BC and Its Positive Ion in Their Ground and Excited Electronic States

ChemInform ◽  
1988 ◽  
Vol 19 (8) ◽  
Author(s):  
G. HIRSCH ◽  
R. J. BUENKER
Keyword(s):  
Theoretical Study ◽  
Electronic States ◽  
Excited Electronic States ◽  
Positive Ion

AB-INITIO THEORETICAL APPROACHES TO THE STRUCTURAL, ELECTRONIC AND VIBRATIONAL PROPERTIES OF SMALL CLUSTERS AND FULLERENES: THE STATE OF THE ART

1993 ◽  
Vol 04 (02) ◽  
pp. 227-237
Author(s):  
WANDA ANDREONI
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Theoretical Study ◽  
State Of The Art ◽  
Electronic States ◽  
Vibrational Properties ◽  
Ab Initio Methods ◽  
Excited Electronic States ◽  
Theoretical Approaches ◽  
Small Clusters

A brief report is presented of recent advances in the theoretical study of clusters and fullerenes with ab-initio methods. Selected calculations of structural properties, excited electronic states and vibrational spectra will be discussed. The purpose is to compare different methods and clarify their specific powers and weaknesses.

Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states

2005 ◽  
Vol 123 (13) ◽  
pp. 134320 ◽  
Author(s):  
T. S. Zyubina ◽  
Y. A. Dyakov ◽  
S. H. Lin ◽  
A. D. Bandrauk ◽  
A. M. Mebel
Keyword(s):  
Theoretical Study ◽  
Electronic States ◽  
Excited Electronic States

Theoretical study of the Rydberg excited electronic states of Ar+2

1992 ◽  
Vol 96 (8) ◽  
pp. 6093-6103 ◽  
Author(s):  
C. Cachoncinlle ◽  
J. M. Pouvesle ◽  
G. Durand ◽  
F. Spiegelmann
Keyword(s):  
Theoretical Study ◽  
Electronic States ◽  
Excited Electronic States
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