Benchmark ab Initio Conformational Energies for the Proteinogenic Amino Acids through Explicitly Correlated Methods. Assessment of Density Functional Methods.

Kesharwani, Manoj K

Benchmark ab Initio Conformational Energies for the Proteinogenic Amino Acids through Explicitly Correlated Methods. Assessment of Density Functional Methods. [electronic resource] - Journal of chemical theory and computation Jan 2016 - 444-54 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1549-9626

10.1021/acs.jctc.5b01066 doi


Amino Acids--chemistry
Models, Molecular
Thermodynamics