Tunnelling and barrier-less motions in the 2-fluoroethanol–water complex: a rotational spectroscopic and ab initio study

2017 ◽  
Vol 19 (19) ◽  
pp. 12221-12228 ◽  
Author(s):  
Wenyuan Huang ◽  
Javix Thomas ◽  
Wolfgang Jäger ◽  
Yunjie Xu
Keyword(s):  
Ab Initio ◽  
Internal Rotation ◽  
Rotational Spectrum ◽  
Ab Initio Study ◽  
Water Complex ◽  
Hydrogen Bonded

Rotational spectrum of 2-fluoroethanol–water reveals interesting water and methyl internal rotation tunneling and barrier-less motions in the hydrogen-bonded complex.

Ab initio study of internal rotation in 2-pyridincarboxaldehyde

1990 ◽  
Vol 210 ◽  
pp. 291-298 ◽  
Author(s):  
Y.G. Smeyers ◽  
A. Hernández-Laguna ◽  
M.J. Martín-Delgado ◽  
M.J. Macedo ◽  
M.I. Suero
Keyword(s):  
Ab Initio ◽  
Internal Rotation ◽  
Ab Initio Study

Matrix Isolation and ab Initio Study of the Hydrogen-Bonded Complex between H2O2and (CH3)2O

2000 ◽  
Vol 104 (10) ◽  
pp. 2033-2037 ◽  
Author(s):  
James Goebel ◽  
Bruce S. Ault ◽  
Janet E. Del Bene
Keyword(s):  
Ab Initio ◽  
Matrix Isolation ◽  
Ab Initio Study ◽  
Hydrogen Bonded
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