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

Yuan Mei, David M Sherman, Weihua Liu, Joel Brugger

Research output: Contribution to journalArticle (Academic Journal)peer-review

72 Citations (Scopus)

Fingerprint

Dive into the research topics of 'Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids'. Together they form a unique fingerprint.

Chemistry

Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science