An ab initio study of crystal field effects, part 3: Solid- and gas-phase geometry of formamide, modeling the changes in a peptide group due to hydrogen bonds

1991 ◽  
Vol 2 (1) ◽  
pp. 3-9 ◽  
Author(s):  
P. Popelier ◽  
A. T. H. Lenstra ◽  
C. Van Alsenoy ◽  
H. J. Geise
Keyword(s):  
Hydrogen Bonds ◽  
Ab Initio ◽  
Gas Phase ◽  
Crystal Field ◽  
Ab Initio Study ◽  
Peptide Group ◽  
Field Effects

An ab-initio study of crystal field effects: solid-state and gas-phase geometry of acetamide

1989 ◽  
Vol 111 (15) ◽  
pp. 5658-5660 ◽  
Author(s):  
P. Popelier ◽  
A. T. H. Lenstra ◽  
C. Van Alsenoy ◽  
H. J. Geise
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Gas Phase ◽  
Crystal Field ◽  
Ab Initio Study ◽  
Field Effects

Gas phase conformational basicity of carvedilol Fragment B, 2(S)-1-(ethylamonium)propane-2-ol: An ab initio study on a protonophoretic of oxidative phosphorylation uncoupling

2003 ◽  
Vol 631 (1-3) ◽  
pp. 251-270 ◽  
Author(s):  
David R.P. Almeida ◽  
Donna M. Gasparro ◽  
Luca F. Pisterzi ◽  
Ladislaus L. Torday ◽  
Andras Varro ◽  
...  
Keyword(s):  
Oxidative Phosphorylation ◽  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study
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