Search and Structure Design of Physiologically Active Compounds
Calculating water’s anomalous properties from first principles: Mechanisms of ion transport in the bulk and at interfaces Mark E. Tuckerman Dept. of Chemistry.
Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory and algorithms Mark E. Tuckerman Dept. of Chemistry and Courant Institute.
Calculation of Molecular Properties: How, What and Why? Dr. Vasile Chiş, Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca Dr. Vasile Chiş Biomedical.
Mark E. Tuckerman Dept. of Chemistry and Courant Institute of Mathematical Sciences
Calculation of Molecular Properties: How, What and Why?
David Randall Kent IV-dissertation
