Reinvestigation of intramolecular hydrogen bond in malonaldehyde derivatives: An ab initio, AIM and NBO study

2010 ◽  
Vol 111 (12) ◽  
pp. 3040-3047 ◽  
Author(s):  
A. Nowroozi ◽  
H. Raissi ◽  
H. Hajiabadi ◽  
P. Mohammadzadeh Jahani
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Intramolecular Hydrogen Bond ◽  
Intramolecular Hydrogen ◽  
Aim And Nbo

GIAO, DFT, AIM and NBO analysis of the NH···O intramolecular hydrogen-bond influence on the 1 J (N,H) coupling constant in push-pull diaminoenones

2010 ◽  
Vol 48 (9) ◽  
pp. 661-670 ◽  
Author(s):  
Andrei V. Afonin ◽  
Igor A. Ushakov ◽  
Alexander V. Vashchenko ◽  
Evgeniy V. Kondrashov ◽  
Alexander Yu. Rulev
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Nbo Analysis ◽  
Coupling Constant ◽  
Intramolecular Hydrogen ◽  
Aim And Nbo
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