Keyphrases
Aqueous Solution
100%
Entropy Calculation
100%
Redox Potential
100%
Ab Initio Molecular Dynamics
100%
Proposed Methodology
33%
Thermodynamic Model
33%
Fe2+
33%
Acetonitrile
33%
Van Der Waals Correction
33%
Solvation Shell
33%
Solvent Molecules
33%
First-principles
33%
All-atom
33%
Dynamical Effect
33%
Charged Complexes
33%
Cr2+
33%
Computationally Efficient
33%
Exchange-correlation
33%
Free Energy Difference
33%
Ab Initio Molecular Dynamics Simulation
33%
Sn2+
33%
Root Mean Square Deviation
33%
Electrostatic Potential
33%
Density Functional
33%
Explicit Solvation
33%
Reduction Potential
33%
Redox Couple
33%
Quantum Mechanical Simulation
33%
Molecular Complexes
33%
Chemistry
Molecular Dynamics
100%
Aqueous Solution
100%
Redox Potential
100%
Transition Metals
100%
Solvation
66%
Gibbs Free Energy
33%
Acetonitrile
33%
First Principle
33%
Electrostatic Potential
33%
Reduction Potential
33%
Ammonia
33%
Biochemistry, Genetics and Molecular Biology
Ab-Initio Molecular Dynamics
100%
Aqueous Solution
100%
Oxidation Reduction Potential
100%
Solvation
66%
Static Electricity
33%
Material Science
Solution
100%
Transition Metal
100%
Solvation
100%
Density
50%