Detalhe da pesquisa
1.
Thermodynamic functions of molecular conformations of (2-fluoro-2-phenyl-1-ethyl)ammonium ion and (2-hydroxy-2-phenyl-1-ethyl)ammonium ion as models for protonated noradrenaline and adrenaline: first-principles computational study of conformations and thermodynamic functions for the noradrenaline and adrenaline models.
J Phys Chem A
; 113(11): 2507-15, 2009 Mar 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-19239211
2.
Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer.
J Phys Chem A
; 113(32): 9138-49, 2009 Aug 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-19719295
3.
Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study.
J Phys Chem A
; 109(3): 520-33, 2005 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-16833374
4.
First principle computational study on the full conformational space of L-proline diamides.
J Phys Chem A
; 109(11): 2660-79, 2005 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-16833573
5.
Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.
J Phys Chem A
; 109(24): 5289-302, 2005 Jun 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-16839052