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Computer simulation of the dynamics of aqueous solvation
Mark Maroncelli, Graham R. Fleming
Chemistry
Materials Research Institute (MRI)
Research output
:
Contribution to journal
›
Article
›
peer-review
465
Scopus citations
Overview
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Dive into the research topics of 'Computer simulation of the dynamics of aqueous solvation'. Together they form a unique fingerprint.
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Keyphrases
Solute
100%
Aqueous Solvation
100%
Solvation
66%
Size Ratio
33%
Molecular Dynamics Simulation
33%
Relaxation Time
33%
Operative
33%
Prediction Method
33%
Dipole Moment
33%
Time Dependence
33%
Structured Environments
33%
Solvation Free Energy
33%
Solvation Dynamics
33%
Solvation Shell
33%
Solvent Molecules
33%
Equilibrium and Non-equilibrium
33%
Linear Response
33%
Continuum Theory
33%
Translational Mechanism
33%
Equilibrium Molecular Dynamics Simulation
33%
Charge-dipole Interaction
33%
Charge Size
33%
Non-equilibrium Molecular Dynamics
33%
Linear Response Theory
33%
Equilibrium Dynamics
33%
Non-equilibrium Dynamics
33%
Spherical Clusters
33%
Quadrupole Moment
33%
Aqueous Solutes
33%
Linear Response Method
33%
Molecular Solvation Theory
33%
Non-equilibrium Simulations
33%
Finite Distributions
33%
Equilibrium Molecular Dynamics
33%
Engineering
Nonequilibrium
100%
Linear Response
100%
Energy Engineering
33%
Computer Simulation
33%
Dipole Moment
33%
Reference System
33%
Relaxation Time
33%
Solvent Molecule
33%
Dynamic Equilibrium
33%
Chemistry
Solvation
100%
Relaxation
50%
Nonequilibrium
50%
Molecular Dynamics
33%
Dipole Moment
16%
Multipole
16%
Material Science
Solvation
100%