Detalhe da pesquisa
1.
Chirality of Alanine Molecules in Water Solvent: A Theoretical Perspective.
J Phys Chem A
; 127(14): 3096-3103, 2023 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37017103
2.
Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures.
J Chem Phys
; 148(2): 024305, 2018 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29331136
3.
Binding energies and hydrogen bonds effects on DNA-cisplatin interactions: a DFT-xTB study.
J Mol Model
; 30(6): 187, 2024 May 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38801468
4.
Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pair.
Phys Rev E Stat Nonlin Soft Matter Phys
; 69(6 Pt 1): 061902, 2004 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-15244612
5.
A Monte Carlo-quantum mechanics study of the lowest n-pi* and pi-pi* states of uracil in water.
Phys Chem Chem Phys
; 9(35): 4907-12, 2007 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-17912421