Detalhe da pesquisa
1.
Reply to the 'Comment on "Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory"' by S. A. Glover, Phys. Chem. Chem. Phys., 2019, 21, 18012.
Phys Chem Chem Phys
; 21(45): 25513-25517, 2019 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31712790
2.
Formation Mechanism of Benzo(a)pyrene: One of the Most Carcinogenic Polycyclic Aromatic Hydrocarbons (PAH).
Molecules
; 24(6)2019 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30884744
3.
High efficiency two-photon uncaging coupled by the correction of spontaneous hydrolysis.
Org Biomol Chem
; 16(11): 1958-1970, 2018 03 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29497727
4.
Amide Activation in Ground and Excited States.
Molecules
; 23(11)2018 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30400217
5.
Protein Stability and Unfolding Following Glycine Radical Formation.
Molecules
; 22(4)2017 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28422069
6.
Molecular ageing: free radical initiated epimerization of thymopentin--a case study.
J Chem Phys
; 140(20): 205102, 2014 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24880333
7.
Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.
Phys Chem Chem Phys
; 15(47): 20447-20455, 2013 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-23760063
8.
Exploiting diverse stereochemistry of ß-amino acids: toward a rational design of sheet-forming ß-peptide systems.
Amino Acids
; 43(2): 735-49, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22057667
9.
Application of the systems chemistry approach on the ammonolysis of 1-ethoxycarbonyl- and 1-phenoxycarbonyl-3-(2-thienyl)oxindoles. A method to predict reactivity.
J Org Chem
; 77(17): 7282-90, 2012 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-22901033
10.
The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization.
Phys Chem Chem Phys
; 14(4): 1507-16, 2012 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-22159787
11.
Qualitative assessment of microstructure and Hertzian indentation failure in biocompatible glass ionomer cements.
J Mater Sci Mater Med
; 23(3): 677-85, 2012 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-22286280
12.
Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?
Phys Chem Chem Phys
; 13(16): 7449-58, 2011 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-21431107
13.
Quantum chemical analysis of the unfolding of a penta-glycyl 3(10)-helix initiated by HO(â), HO2(â), and O2(-â).
J Chem Phys
; 135(3): 035101, 2011 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21787023
14.
Theoretical Design, Synthesis, and In Vitro Neurobiological Applications of a Highly Efficient Two-Photon Caged GABA Validated on an Epileptic Case.
ACS Omega
; 6(23): 15029-15045, 2021 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34151084
15.
Density functional theory investigation of the alkyl-alkyl Negishi cross-coupling reaction catalyzed by N-heterocyclic carbene (NHC)-Pd complexes.
Chemistry
; 15(17): 4281-8, 2009.
Artigo
em Inglês
| MEDLINE | ID: mdl-19288489
16.
Systemic energy management by strategically located functional components within molecular frameworks, determined by systems chemistry.
J Phys Chem B
; 113(30): 10308-14, 2009 Jul 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-19572662
17.
In silico study of full-length amyloid beta 1-42 tri- and penta-oligomers in solution.
J Phys Chem B
; 113(34): 11710-9, 2009 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-19645414
18.
A quantitative scale for the extent of conjugation of substituted olefines.
J Phys Chem A
; 113(27): 7953-62, 2009 Jul 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-19505107
19.
Theoretical study on reactions of HO2 radical with photodissociation products of Cl2SO (ClSO and SO).
J Phys Chem A
; 113(37): 9981-7, 2009 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-19694477
20.
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