Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids

Chemistry

• Molecular Dynamics 100%
• Chloride 60%
• Ligand 60%
• Copper 40%
• Formation Constant 30%
• Simulation 20%
• Thermodynamic Property 20%
• Complexation 20%
• Potential 10%
• Gibbs Free Energy 10%
• Reaction Temperature 10%
• Thermodynamics 10%
• Density Functional Theory 10%
• Reaction Stoichiometry 10%
• Solubility 10%
• Transition Element 10%
• X Ray Absorption Spectroscopy 10%

Biochemistry, Genetics and Molecular Biology

• Chloride 60%
• Liquid 40%
• Bisulfide 40%
• Species 30%
• Thermodynamics 30%
• Electric Potential 10%
• Energy 10%
• Density 10%
• Exploratory Behavior 10%
• Identity 10%
• Stoichiometry 10%
• Vapor 10%
• Solubility 10%
• Complex Formation 10%
• X-Ray Absorption Spectroscopy 10%
• Environmental Temperature 10%

Pharmacology, Toxicology and Pharmaceutical Science

• Ligand 60%
• Chloride 60%
• Cuprous Ion 60%
• Bisulfide 40%
• Copper 10%
• Transition Element 10%
• Metal Complex 10%
• Tipepidine 10%