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Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N -Methylacetamide in Aqueous Salt Solutions

✍ Scribed by Heyda, Jan; Vincent, Jordan C.; Tobias, Douglas J.; Dzubiella, Joachim; Jungwirth, Pavel

Book ID: 120712057
Publisher: American Chemical Society
Year: 2010
Tongue: English
Weight: 565 KB
Volume: 114
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp910953w

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## Abstract Structural and dynamical properties of the TiO^2+^ ion in aqueous solution have been investigated by using the new ab initio quantum mechanical charge field (QMCF) molecular dynamics (MD) formalism, which does not require any other potential functions except those for solvent–solvent in