ChemInform Abstract: A Comparative ab initio Study of Amides. Part 1. Force Fields and Vibrational Assignments for Formamide, Acetamide and N-Methylformamide

1986 ◽  
Vol 17 (12) ◽  
Author(s):  
G. FOGARASI ◽  
A. BALAZS
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Ab Initio Study ◽  
Vibrational Assignments

Vibrational force fields for strained hydrocarbons involving exo-double bonds. An ab initio study

1987 ◽  
Vol 150 (3-4) ◽  
pp. 259-266 ◽  
Author(s):  
Anne Skancke ◽  
Per N. Skancke ◽  
Mirjana Eckert-Maksić ◽  
Zvonimir B. Maksić
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Ab Initio Study ◽  
Double Bonds

Ab initio study of spectroscopic properties at anharmonic force fields of LiNH2

2021 ◽  
Vol 27 (2) ◽  
Author(s):  
Shanshan Ma ◽  
Meishan Wang ◽  
Yanli Liu ◽  
Chuanlu Yang ◽  
Lihan Chi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Spectroscopic Properties ◽  
Ab Initio Study ◽  
Anharmonic Force

Anharmonic force fields and spectroscopic constants of H2AsO: An ab initio study

2019 ◽  
Vol 18 (2) ◽  
pp. 123-137 ◽  
Author(s):  
Qiushuang Xu ◽  
Meishan Wang ◽  
Gaoshang Li ◽  
Yanliang Zhao ◽  
Chuanlu Yang
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Spectroscopic Constants ◽  
Ab Initio Study ◽  
Anharmonic Force

Ab initio study of spectroscopic properties and anharmonic force fields of MNH2 (M = Li, Na, K)

2021 ◽  
Vol 253 ◽  
pp. 119591
Author(s):  
Shanshan Ma ◽  
Meishan Wang ◽  
Yanli Liu ◽  
Chuanlu Yang ◽  
Lihan Chi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Spectroscopic Properties ◽  
Ab Initio Study ◽  
Anharmonic Force
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