Efficient computation of potential energy first and second derivatives for molecular dynamics, normal coordinate analysis, and molecular mechanics calculations a

Robert E. Tuzun, Donald W. Noid, Bobby C. Sumpter

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Fingerprint

Dive into the research topics of 'Efficient computation of potential energy first and second derivatives for molecular dynamics, normal coordinate analysis, and molecular mechanics calculations a'. Together they form a unique fingerprint.

Chemistry

Engineering

Biochemistry, Genetics and Molecular Biology

Physics