Bond lengths and quadratic force field for cubane

1991 ◽  
Vol 113 (5) ◽  
pp. 1514-1517 ◽  
Author(s):  
Lise Hedberg ◽  
Kenneth Hedberg ◽  
Philip E. Eaton ◽  
Nereo Nodari ◽  
Alan G. Robiette
Keyword(s):  
Force Field ◽  
Bond Lengths ◽  
Quadratic Force Field

ChemInform Abstract: Bond Lengths and Quadratic Force Field for Cubane.

ChemInform ◽  
2010 ◽  
Vol 22 (22) ◽  
pp. no-no
Author(s):  
L. HEDBERG ◽  
K. HEDBERG ◽  
P. E. EATON ◽  
N. NODARI ◽  
A. G. ROBIETTE
Keyword(s):  
Force Field ◽  
Bond Lengths ◽  
Quadratic Force Field

Force field for in-plane vibrations of terephthalonitrile

1989 ◽  
Vol 54 (1) ◽  
pp. 18-27 ◽  
Author(s):  
Juan F. Arenas ◽  
Juan I. Marcos ◽  
Francisco J. Ramírez
Keyword(s):  
Experimental Data ◽  
Force Field ◽  
Normal Coordinates ◽  
Internal Coordinates ◽  
Isotopic Shifts ◽  
Quadratic Force Field ◽  
Semi Empirical

The general quadratic force field for the in-plane vibrations of terephthalonitrile was calculated by the semi-empirical MINDO/3 method. This force field was refined to the frequencies observed experimentally for terephthalonitrile and isotopic shifts of terephthalonitrile-[15N2]. The refined frequencies reproduce the experimental data with errors less than 0.5%. The normal coordinates and the force field in internal coordinates were also calculated from the refined field.

Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO

2002 ◽  
Vol 214 (2) ◽  
pp. 175-187 ◽  
Author(s):  
Li-Hong Xu ◽  
Jon T. Hougen ◽  
Ronald M. Lees ◽  
Mirza A. Mekhtiev
Keyword(s):  
Force Field ◽  
Torsional Angle ◽  
Quadratic Force Field

scholarly journals The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

2015 ◽  
Vol 17 (21) ◽  
pp. 14145-14158 ◽  
Author(s):  
Ashim Kumar Saha ◽  
Gautam Sarma ◽  
Chung-Hsin Yang ◽  
Sebastiaan Y. T. van de Meerakker ◽  
David H. Parker ◽  
...  
Keyword(s):  
Force Field ◽  
Field Model ◽  
Electronic States ◽  
Teller Effect ◽  
Isotopic Substitution ◽  
Quadratic Force Field ◽  
Jahn Teller ◽  
Jahn Teller Effect

A simple linear and quadratic force field model for the lifting of the degeneracy on asymmetric isotopic substitution in degenerate electronic states subject to a weak Jahn–Teller effect.

An ab initio quadratic force field for methyldiborane

1984 ◽  
Vol 23 (16) ◽  
pp. 2505-2509 ◽  
Author(s):  
David D. Keeports ◽  
David F. Eggers
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Quadratic Force Field
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