Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks.
Plotnikov, Nikolay V
Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks. [electronic resource] - The journal of physical chemistry. B Jun 2011 - 7950-62 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
1520-5207
10.1021/jp201217b doi
Models, Molecular
Quantum Theory
Thermodynamics
Paradynamics: an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks. [electronic resource] - The journal of physical chemistry. B Jun 2011 - 7950-62 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
1520-5207
10.1021/jp201217b doi
Models, Molecular
Quantum Theory
Thermodynamics