Detalhe da pesquisa
1.
Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations.
J Chem Phys
; 158(14): 144111, 2023 Apr 14.
Artigo
Inglês
| MEDLINE | ID: mdl-37061462
2.
Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework.
J Phys Chem A
; 123(40): 8734-8743, 2019 Oct 10.
Artigo
Inglês
| MEDLINE | ID: mdl-31512869
3.
Three-body interactions and the elastic constants of hcp solid 4He.
J Chem Phys
; 147(11): 114504, 2017 Sep 21.
Artigo
Inglês
| MEDLINE | ID: mdl-28938802
4.
Search for anisotropy in the Debye-Waller factor of HCP solid (4)He.
J Chem Phys
; 144(8): 084505, 2016 Feb 28.
Artigo
Inglês
| MEDLINE | ID: mdl-26931710
5.
Synthesis and biochemical evaluation of benzoylbenzophenone thiosemicarbazone analogues as potent and selective inhibitors of cathepsin L.
Bioorg Med Chem
; 23(21): 6974-92, 2015 Nov 01.
Artigo
Inglês
| MEDLINE | ID: mdl-26462052
6.
Testing novel strategies for patients hospitalised with HIV-associated disseminated tuberculosis (NewStrat-TB): protocol for a randomised controlled trial.
Trials
; 25(1): 311, 2024 May 08.
Artigo
Inglês
| MEDLINE | ID: mdl-38720383
7.
Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers.
Front Chem
; 11: 1256510, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-37654900
8.
Coupled cluster theory on modern heterogeneous supercomputers.
Front Chem
; 11: 1154526, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-37388945