Ab initio molecular dynamics simulation of liquid water with fragment-based quantum mechanical approach under periodic boundary conditions-Reference-Cited by-同舟云学术

Ab initio molecular dynamics simulation of liquid water with fragment-based quantum mechanical approach under periodic boundary conditions

Published:2021-12 Issue:6 Volume:34 Page:761-768
ISSN:1674-0068
Container-title:Chinese Journal of Chemical Physics
language:en
Short-container-title:Chinese Journal of Chemical Physics

Author:

Liu Jinfeng¹²,He Xiao²³

Affiliation:

1. Department of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University, Nanjing 210009, China

2. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China

3. New York University-East China Normal University Center for Computational Chemistry at New York University Shanghai, Shanghai 200062, China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry

Link

https://cps.scitation.org/doi/pdf/10.1063/1674-0068/cjcp2110183

Reference71 articles.

1. Advances in Computational Studies of the Liquid–Liquid Transition in Water and Water-Like Models

2. Anomalous water diffusion in salt solutions

3. Relationship between structural order and the anomalies of liquid water

4. Insights into Phases of Liquid Water from Study of Its Unusual Glass-Forming Properties

5. Water as an Active Constituent in Cell Biology

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