Ab Initio Study of Electronic Structure and Jahn-Teller Effect of Tetrachloromethane Cation

1995 ◽  
Vol 99 (32) ◽  
pp. 12135-12140 ◽  
Author(s):  
J. M. Garcia de la Vega ◽  
E. Mena ◽  
B. Miguel ◽  
E. San Fabian
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Teller Effect ◽  
Ab Initio Study ◽  
Jahn Teller ◽  
Jahn Teller Effect

D3dGround-State Structure of V(CO)6:  A Combined Matrix Isolation and ab Initio Study of the Jahn−Teller Effect

2003 ◽  
Vol 107 (6) ◽  
pp. 859-868 ◽  
Author(s):  
Eduard Bernhardt ◽  
Helge Willner ◽  
Andreas Kornath ◽  
Jürgen Breidung ◽  
Michael Bühl ◽  
...  
Keyword(s):  
Ab Initio ◽  
Matrix Isolation ◽  
Teller Effect ◽  
Ab Initio Study ◽  
State Structure ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Combined Matrix

ChemInform Abstract: EPR STUDIES OF THE ELECTRONIC STRUCTURE AND DYNAMIC JAHN-TELLER EFFECT IN IRON(I) SANDWICH COMPOUNDS

1982 ◽  
Vol 13 (32) ◽  
Author(s):  
M. V. RAJASEKHARAN ◽  
S. GIEZYNSKI ◽  
J. H. AMMETER ◽  
N. OSWALD ◽  
P. MICHAUD ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Teller Effect ◽  
Sandwich Compounds ◽  
Jahn Teller ◽  
Jahn Teller Effect

ChemInform Abstract: ESR STUDY OF THE ELECTRONIC STRUCTURE AND DYNAMIC JAHN-TELLER EFFECT IN NICKELOCENIUM CATION

1984 ◽  
Vol 15 (13) ◽  
Author(s):  
M. V. RAJASEKHARAN ◽  
R. BUCHER ◽  
E. DEISS ◽  
L. ZOLLER ◽  
A. K. SALZER ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn–Teller effect parameters, hardness and electronegativity

2015 ◽  
Vol 17 (43) ◽  
pp. 29251-29261 ◽  
Author(s):  
Ghazaleh Kouchakzadeh ◽  
Davood Nori-Shargh
Keyword(s):  
Symmetry Breaking ◽  
Ab Initio ◽  
Teller Effect ◽  
Dft Methods ◽  
Jahn Teller ◽  
Jahn Teller Effect

The correlations between the Pseudo-Jahn–Teller Effect (PJTE) parameters (i.e. F, Δ and K0), structural and configurational properties, global hardness and global electronegativities in disilicon tetrahalides were investigated by means of ab initio and hybrid-DFT methods.

Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation

1991 ◽  
Vol 177 (3) ◽  
pp. 345-351 ◽  
Author(s):  
J. Eiding ◽  
R. Schneider ◽  
W. Domcke ◽  
H. Köppel ◽  
W. von Niessen
Keyword(s):  
Ab Initio ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect
Sign in / Sign up

Export Citation Format

Share Document