Detalhe da pesquisa
1.
Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals.
J Comput Chem
; 43(9): 588-597, 2022 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35147988
2.
Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of In Situ and Ex Situ SAM Preparation.
Langmuir
; 32(20): 5029-37, 2016 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-27145215
3.
Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations.
J Hazard Mater
; 402: 123503, 2021 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32738782
4.
Etching of Crystalline ZnO Surfaces upon Phosphonic Acid Adsorption: Guidelines for the Realization of Well-Engineered Functional Self-Assembled Monolayers.
ACS Appl Mater Interfaces
; 8(21): 13472-83, 2016 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27159837
5.
Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young׳s modulus of Ag.
Data Brief
; 3: 209-15, 2015 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-26217746