Ab Initio QM/MM Simulation of Ag+ in 18.6% Aqueous Ammonia Solution: Structure and Dynamics Investigations
Author:
Affiliation:
1. Department of Theoretical Chemistry, Institute of General, Inorganic, and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0462916
Reference39 articles.
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2. Synthesis and Characterization of Water-Soluble Silver(I) Complexes with l-Histidine (H2his) and (S)-(−)-2-Pyrrolidone-5-carboxylic Acid (H2pyrrld) Showing a Wide Spectrum of Effective Antibacterial and Antifungal Activities. Crystal Structures of Chiral Helical Polymers [Ag(Hhis)]n and {[Ag(Hpyrrld)]2}n in the Solid State
3. Collision-Induced Dissociation of the Ag+−Proline Complex: Fragmentation Pathways and Reaction MechanismsA Synergy between Experiment and Theory
4. Reactions between Glycolic Acid and Cu+ in the Gas Phase. An Experimental and Theoretical Study
5. EXAFS and ab Initio Molecular Orbital Studies on the Structure of Solvated Silver(I) Ions
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