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Correlated dynamics of water and amphiphilic molecules in thin Newton black films
(American Institute of Physics, 2010-02)
The dynamical properties of amphiphilics in Newton black films, as well as those of the water confined between the two charged hydrophilic surfaces, have been calculated via a series of molecular dynamic calculations in ...
Carbohydrate clustering in aqueous solutions and the dynamics of confined water
(Amer Chemical SocWashingtonEUA, 2007)
Dielectric relaxation of supercritical water: Computer simulations
(Amer Inst PhysicsMelvilleEUA, 2000)
Solvation dynamics at the water/zirconia interface: Molecular dynamics simulations
(Amer Chemical SocWashingtonEUA, 2004)
Dynamics and structural behavior of water in large confinement with planar amorphous walls
(American Institute of Physics, 2017-07)
We study the structure and dynamics of liquid water confined between planar amorphous walls using molecular dynamics (MD) simulations. We report MD results for systems of more than 23 000 SPC/E water molecules confined ...
Before and Beyond the Micellization of n-Alkyl Glycosides. A Water-H-1 NMR Relaxation Study
(Amer Chemical SocWashingtonEUA, 2013)
Solvation of excess electrons in supercritical ammonia
(Amer Inst PhysicsMelvilleEUA, 2003)
Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties
(Amer Inst PhysicsMelvilleEUA, 2008)
Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: A sequential molecular dynamics/quantum mechanical approach
(AMER INST PHYSICS, 2009)
The dynamic polarizability and optical absorption spectrum of liquid water in the 6-15 eV energy range are investigated by a sequential molecular dynamics (MD)/quantum mechanical approach. The MD simulations are based on ...
Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis
(American Chemical Society, 2017-03)
We study water confined in calcite (104) slit pores from 6 to 1 nm by molecular dynamics. By determining NMR parameters combined with hydrogen bond network analysis, we provide an important contribution to the understanding ...