Detalhe da pesquisa
1.
Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3-) and ammonium (NH4+) ions.
J Chem Phys
; 159(22)2023 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38063225
2.
Solubility of carbon dioxide in water: Some useful results for hydrate nucleation.
J Chem Phys
; 158(18)2023 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37158326
3.
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields.
J Phys Chem Lett
; 15(16): 4477-4485, 2024 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38634502
4.
Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property.
J Chem Theory Comput
; 19(16): 5380-5393, 2023 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37506381
5.
Location and Concentration of Aromatic-Rich Segments Dictates the Percolating Inter-Molecular Network and Viscoelastic Properties of Ageing Condensates.
Adv Sci (Weinh)
; 10(25): e2207742, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37386790
6.
Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation.
J Phys Chem B
; 126(42): 8553-8570, 2022 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36222501
7.
A New Force Field for OH- for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions.
J Phys Chem B
; 126(45): 9376-9387, 2022 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-36325986