Anharmonic force fields from analytic second derivatives: Method and application to methyl bromide

1989 ◽  
Vol 157 (4) ◽  
pp. 367-373 ◽  
Author(s):  
Winfried Schneider ◽  
Walter Thiel
Keyword(s):  
Methyl Bromide ◽  
Force Fields ◽  
Second Derivatives ◽  
Anharmonic Force

Anharmonic force fields from analytic CCSD(T) second derivatives: HOF and F2O

1999 ◽  
Vol 110 (8) ◽  
pp. 3687-3696 ◽  
Author(s):  
Jürgen Breidung ◽  
Walter Thiel ◽  
Jürgen Gauss ◽  
John F. Stanton
Keyword(s):  
Force Fields ◽  
Second Derivatives ◽  
Anharmonic Force

General derivative relations for anharmonic force fields

1996 ◽  
Vol 89 (5) ◽  
pp. 1213-1221 ◽  
Author(s):  
WESLEY D. ALLEN ◽  
ATTILA G. CSÁSZÁR ◽  
VIKTOR SZALAY ◽  
IAN M. MILLS
Keyword(s):  
Force Fields ◽  
Anharmonic Force

ChemInform Abstract: Anharmonic Force Fields of Arsine, Stibine, and Bismutine

ChemInform ◽  
2010 ◽  
Vol 26 (19) ◽  
pp. no-no
Author(s):  
J. BREIDUNG ◽  
W. THIEL
Keyword(s):  
Force Fields ◽  
Anharmonic Force

The Harmonic and Anharmonic Force Fields of Nitrosyl Halides

1988 ◽  
Vol 21 (8) ◽  
pp. 745-755 ◽  
Author(s):  
J. Guillermo Contreras ◽  
Juan A. Gnecco
Keyword(s):  
Force Fields ◽  
Anharmonic Force

Spectroscopic constants and anharmonic force fields of F2SO: An ab inito study

2019 ◽  
Vol 736 ◽  
pp. 136814 ◽  
Author(s):  
Lihan Chi ◽  
Meishan Wang ◽  
Chuanlu Yang ◽  
Xin Li ◽  
Xiaoguang Ma
Keyword(s):  
Force Fields ◽  
Spectroscopic Constants ◽  
Ab Inito ◽  
Anharmonic Force
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