scholarly journals Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl–(H2O)2

2001 ◽  
Vol 115 (8) ◽  
pp. 3604-3613 ◽  
Author(s):  
P. E. S. Wormer ◽  
G. C. Groenenboom ◽  
A. van der Avoird
Keyword(s):  
Ab Initio ◽  
Tunneling Spectrum ◽  
Ab Initio Prediction ◽  
Vibration Rotation

scholarly journals Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice

2021 ◽  
Vol 125 (7) ◽  
pp. 4267-4276
Author(s):  
William Lafargue-Dit-Hauret ◽  
Camille Latouche ◽  
Stéphane Jobic
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Host Lattice ◽  
Redox Potentials ◽  
Ab Initio Prediction

Ab initio vibration–rotation spectra of triterated isotopologues of

2008 ◽  
Vol 252 (1) ◽  
pp. 37-40 ◽  
Author(s):  
Amit Amin ◽  
Jude Nazareth ◽  
Jonathan Tennyson
Keyword(s):  
Ab Initio ◽  
Vibration Rotation
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