Detalhe da pesquisa
1.
Structure and dynamics of water plastic crystals from computer simulations.
J Chem Phys
; 154(10): 104501, 2021 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33722053
2.
On the microscopic origin of the cryoprotective effect in lysine solutions.
Phys Chem Chem Phys
; 22(13): 6919-6927, 2020 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32181454
3.
Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach.
J Chem Phys
; 152(23): 234501, 2020 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32571039
4.
The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective.
J Chem Phys
; 150(12): 124506, 2019 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30927901
5.
On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility.
Phys Chem Chem Phys
; 18(33): 23006-16, 2016 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-27489172
6.
The structure of liquid water beyond the first hydration shell.
Phys Chem Chem Phys
; 18(28): 19420-5, 2016 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27377988
7.
Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.
J Chem Phys
; 139(18): 184111, 2013 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-24320258
8.
Excess protons in mesoscopic water-acetone nanoclusters.
J Chem Phys
; 137(19): 194301, 2012 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-23181300
9.
Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.
J Chem Phys
; 136(5): 054103, 2012 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-22320721
10.
Fingerprints of the Crossing of the Frenkel and Melting Line on the Properties of High-Pressure Supercritical Water.
J Phys Chem Lett
; 13(33): 7636-7644, 2022 Aug 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35952379
11.
Aqueous electrolytes confined within functionalized silica nanopores.
J Chem Phys
; 135(10): 104503, 2011 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-21932906
12.
On the Different Faces of the Supercritical Phase of Water at a Near-Critical Temperature: Pressure-Induced Structural Transitions Ranging from a Gaslike Fluid to a Plastic Crystal Polymorph.
J Phys Chem B
; 125(36): 10260-10272, 2021 Sep 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-34491748
13.
Effect of the Water Model in Simulations of Protein-Protein Recognition and Association.
Polymers (Basel)
; 13(2)2021 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33419008
14.
Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water.
J Chem Phys
; 132(7): 074502, 2010 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-20170232
15.
The polarizable point dipoles method with electrostatic damping: implementation on a model system.
J Chem Phys
; 133(23): 234101, 2010 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21186852
16.
Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study.
J Chem Phys
; 133(1): 014504, 2010 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20614973
17.
Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics.
J Phys Chem B
; 113(26): 8898-910, 2009 Jul 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-19499904
18.
Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics.
J Phys Chem B
; 113(26): 8887-97, 2009 Jul 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-19432401
19.
Exploring the picosecond time domain of the solvation dynamics of coumarin 153 within beta-cyclodextrins.
J Phys Chem B
; 112(30): 8990-8, 2008 Jul 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-18593151
20.
Protons in non-ionic aqueous reverse micelles.
J Phys Chem B
; 111(17): 4432-9, 2007 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-17425361