An ab initio study of the geometries, anharmonic force fields and fundamental vibration frequencies of cis- and trans-formic acid

1980 ◽  
Vol 80 (1) ◽  
pp. 131-144 ◽  
Author(s):  
Charles W. Bock ◽  
Mendel Trachtman ◽  
Philip George
Keyword(s):  
Formic Acid ◽  
Ab Initio ◽  
Force Fields ◽  
Vibration Frequencies ◽  
Ab Initio Study ◽  
Fundamental Vibration ◽  
Cis And Trans ◽  
Anharmonic Force

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

A rotational spectroscopic and ab initio study of cis and trans (-)-carveol: Further insights into conformational dynamics in monoterpenes and monoterpenoids

2021 ◽  
Author(s):  
Arsh Singh Hazrah ◽  
Mohamad al-Jabiri ◽  
Raiden Speelman ◽  
Wolfgang Jaeger
Keyword(s):  
Fourier Transform ◽  
Ab Initio ◽  
Conformational Dynamics ◽  
Ab Initio Study ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Microwave Spectrometer ◽  
Cis And Trans

Broadband rotational spectra of cis- and trans- (-) carveol were recorded using a chirped pulse Fourier transform microwave spectrometer in the 2-6 GHz region. To aid in spectroscopic assignments a...

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