Detalhe da pesquisa
1.
Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory.
J Phys Chem A
; 121(20): 3909-3917, 2017 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-28467074
2.
Theoretical Rationalization of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes.
J Phys Chem A
; 119(27): 7026-37, 2015 Jul 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-26066845
3.
A quantum dynamics study of the ultrafast relaxation in a prototypical Cu(I)-phenanthroline.
J Phys Chem A
; 118(42): 9861-9, 2014 Oct 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25275666
4.
X-ray spectroscopic study of solvent effects on the ferrous and ferric hexacyanide anions.
J Phys Chem A
; 118(40): 9411-8, 2014 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-25223627
5.
X-ray absorption spectroscopy of ground and excited rhenium-carbonyl-diimine complexes: evidence for a two-center electron transfer.
J Phys Chem A
; 117(2): 361-9, 2013 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-23249289
6.
Solvent-induced luminescence quenching: static and time-resolved X-ray absorption spectroscopy of a copper(I) phenanthroline complex.
J Phys Chem A
; 117(22): 4591-601, 2013 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-23617226
7.
A wavelet analysis for the X-ray absorption spectra of molecules.
J Chem Phys
; 138(1): 014104, 2013 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23298025
8.
Photoemission and photoionization time delays and rates.
Struct Dyn
; 4(6): 061502, 2017 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-29308414
9.
Infrared Spectroscopy of Mobility-Selected H+-Gly-Pro-Gly-Gly (GPGG).
J Am Soc Mass Spectrom
; 26(9): 1444-54, 2015 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-26091889
10.
Reaction mechanism of caspases: insights from QM/MM Car-Parrinello simulations.
Proteins
; 52(2): 212-24, 2003 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-12833545
11.
[The fetlock tunnel syndrome in horses: literature review and retrospective study]. / Das Fesseltunnelsyndrom beim Pferd: Literaturübersicht und retrospektive Untersuchung.
Schweiz Arch Tierheilkd
; 143(6): 285-93, 2001 Jun.
Artigo
em Alemão
| MEDLINE | ID: mdl-11434205
12.
Photooxidation and photoaquation of iron hexacyanide in aqueous solution: A picosecond X-ray absorption study.
Struct Dyn
; 1(2): 024901, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-26798775
13.
A closer look into G protein coupled receptor activation: X-ray crystallography and long-scale molecular dynamics simulations.
Curr Med Chem
; 19(8): 1135-45, 2012.
Artigo
em Inglês
| MEDLINE | ID: mdl-22300050
14.
Structure of nanoscale silicon clusters.
Phys Rev Lett
; 72(5): 665-668, 1994 Jan 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-10056492
15.
Molecular dynamics studies of caspase-3.
Biophys J
; 84(4): 2207-15, 2003 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-12668429
16.
Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathways.
Inorg Chem
; 40(23): 5780-6, 2001 Nov 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-11681885
17.
Three- and four-center trans effects in triply bonded ditungsten complexes: an ab initio molecular dynamics study of compounds with stoichiometry W2Cl4(NHEt)2(PMe3)2.
Inorg Chem
; 39(24): 5553-60, 2000 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-11154571
18.
A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.
J Biol Inorg Chem
; 5(2): 236-50, 2000 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-10819469
19.
Biosynthesis of riboflavin: cloning, sequencing, and expression of the gene coding for 3,4-dihydroxy-2-butanone 4-phosphate synthase of Escherichia coli.
J Bacteriol
; 174(12): 4050-6, 1992 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-1597419
20.
[Euphyllin retard and "exercise-induced" asthma]. / Euphyllin retard und "exercise-induced" Asthma.
Schweiz Med Wochenschr
; 110(25): 985-9, 1980 Jun 21.
Artigo
em Alemão
| MEDLINE | ID: mdl-7423136