Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations-Reference-Cited by-同舟云学术

Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations

Published:2018-09-06 Issue:18 Volume:9 Page:5445-5452
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Zhang Weiwei¹^ORCID,Chen Xing²,van Duin Adri C. T.¹^ORCID

Affiliation:

1. Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

2. Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

Funder

Army Research Laboratory

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b02379

Reference43 articles.

1. Self-diffusion in normal and heavy water in the range 1-45.deg.

2. Raman spectra and structure of water from -10 to 90.deg.

3. Solubility of carbohydrates in heavy water

4. A molecular dynamics simulation study of the solvent isotope effect on copper plastocyanin

5. The Application of 1H HR-MAS NMR Spectroscopy for the Study of Structures and Associations of Organic Components at the Solid−Aqueous Interface of a Whole Soil

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