Detalhe da pesquisa
1.
Experimental and Theoretical Studies on Acid Corrosion Inhibition of API 5L X70 Steel with Novel 1-N-α-d-Glucopyranosyl-1H-1,2,3-Triazole Xanthines.
Molecules
; 28(1)2023 Jan 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36615654
2.
Composites of Anthraquinone Dyes@HKUST-1 with Tunable Microstructuring: Experimental and Theoretical Interaction Studies.
Chemistry
; 25(17): 4398-4411, 2019 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30609159
3.
Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition.
Phys Chem Chem Phys
; 17(4): 2660-9, 2015 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25502836
4.
Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.
J Chem Phys
; 143(3): 034103, 2015 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26203010
5.
Elucidating Structural Stability, Bandgap, and Photocatalytic Hydrogen Evolution of (H2O/DMF)@HKUST-1 Host-Guest Systems.
Chempluschem
; 89(5): e202300579, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38116999
6.
Hydrolysis of TiCl(4): initial steps in the production of TiO(2).
J Phys Chem A
; 114(28): 7561-70, 2010 Jul 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-20575575
7.
Adsorption and corrosion inhibition behaviour of new theophylline-triazole-based derivatives for steel in acidic medium.
R Soc Open Sci
; 6(3): 181738, 2019 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31032030
8.
Electronic charge density analysis of Li-doped polyacetylene: molecular vs periodic descriptions and nature of Li-to-chain bonding.
J Phys Chem B
; 117(2): 725-30, 2013 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-23259816
9.
The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure.
J Chem Phys
; 128(10): 104110, 2008 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-18345880
10.
Relationship between the critical points found by the electron localization function and atoms in molecules approaches in adducts with hydrogen bonds.
J Phys Chem A
; 111(43): 11147-52, 2007 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-17918813