Accurate Quantum Mechanics/Molecular Mechanics Simulation of Aqueous Solutions with Tailored Molecular Mechanics Models-Reference-Cited by-同舟云学术

Accurate Quantum Mechanics/Molecular Mechanics Simulation of Aqueous Solutions with Tailored Molecular Mechanics Models

Published:2018-06-05 Issue:8 Volume:14 Page:3943-3954
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jiang Tao¹^ORCID,Simko Stanislav²,Bulo Rosa E.²

Affiliation:

1. Laboratoire de chimie, École Normale Supérieure de lyon, 46 allée d’italie, 69007 Lyon, France

2. Inorganic Chemistry and Catalysis Group, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 3584 CG, Utrecht, The Netherlands

Funder

Universiteit Utrecht

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01218

Reference59 articles.

1. Green chemistry oriented organic synthesis in water

2. Hydrogenolysis Goes Bio: From Carbohydrates and Sugar Alcohols to Platform Chemicals

3. Promoting effect of water for aliphatic primary and secondary alcohol oxidation over platinum catalysts in dioxane/aqueous solution media

4. Hydrophobic acceleration of Diels-Alder reactions

5. Collective molecular rotation in water and other simple liquids

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