Peptide models XXXIV. Side-chain conformational potential energy surfaces associated with all major backbone folds of neutral tautomers of N- and C-protected l-histidine. An ab initio study on ethylimidazole and N-formyl-l-histidinamide

2002 ◽  
Vol 583 (1-3) ◽  
pp. 117-135 ◽  
Author(s):  
Péter Hudáky ◽  
Tamás Beke ◽  
András Perczel
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Side Chain ◽  
Ab Initio Study ◽  
Peptide Models ◽  
Energy Surfaces

Ab Initio Study of the Potential Energy Surfaces for the Reaction C + CH → C2+ H

1998 ◽  
Vol 102 (11) ◽  
pp. 2009-2015 ◽  
Author(s):  
M. Boggio-Pasqua ◽  
Ph. Halvick ◽  
M.-T. Rayez ◽  
J.-C. Rayez ◽  
J.-M. Robbe
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Ab Initio Study ◽  
Energy Surfaces
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