Features of three-centered hydrogen bonding in di(vinylpyrrolyl)pyridine and di(vinylpyridyl)-pyrrole from the ab initio calculation data and QTAIM analysis

2013 ◽  
Vol 54 (4) ◽  
pp. 651-659 ◽  
Author(s):  
A. V. Vashchenko ◽  
A. V. Afonin
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Qtaim Analysis ◽  
Calculation Data

Hydrogen Bonding of Methanol with Bridged OH Groups of Zeolites:  Ab Initio Calculation,1H NMR and FTIR Studies

1998 ◽  
Vol 102 (14) ◽  
pp. 2454-2463 ◽  
Author(s):  
J. Kotrla ◽  
D. Nachtigallová ◽  
L. Kubelková ◽  
L. Heeribout ◽  
C. Doremieux-Morin ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
1H Nmr ◽  
Ab Initio Calculation ◽  
Oh Groups ◽  
Ftir Studies

Treating hydrogen bonding in ab initio calculation of biopolymers

2006 ◽  
Vol 106 (5) ◽  
pp. 1267-1276 ◽  
Author(s):  
Ye Mei ◽  
Emilia L. Wu ◽  
K.L. Han ◽  
J.Z.H. Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Ab Initio Calculation
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