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QM/MM - Quantum Mechanics/Molecular Mechanics
Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective
Authors: Gustavo de M. Seabra, Ross C. Walker and Adrian E. Roitberg
Publication year: 2009
Journal / Book title: J. Phys. Chem. A
Excerpts from the article:
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Energy Transfer, Unfolding, and Fragmentation Dynamics in Collisions of N-Protonated Octaglycine with an H-SAM Surface
Author(s): George L. Barnes, William L. Hase.
Publication year: 2009
Journal / Book title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Excerpts from the article:
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Quantum Mechanical Dynamics of Charge Transfer in Ubiquitin in Aqueous Solution
Authors: Victor M.Anisimov, Vladislav L. Bugaenko, Claudio N. Cavasotto
Publication year: 2009
Journal / Book title: CHEMPHYSCHEM
Excerpts from the article:
