Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory-Reference-Cited by-全球学者库

Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory

Author:

Liu Jinfeng¹²³⁴⁵^ORCID,He Xiao⁶⁷⁸⁵⁹^ORCID,Zhang John Z. H.⁶⁷⁸⁵⁹,Qi Lian-Wen¹²³⁴⁵^ORCID

Affiliation:

1. State Key Laboratory of Natural Medicines

2. Department of Basic Medicine and Clinical Pharmacy

3. China Pharmaceutical University

4. Nanjing

5. China

6. School of Chemistry and Molecular Engineering

7. East China Normal University

8. Shanghai

9. NYU-ECNU Center for Computational Chemistry

Abstract

AIMD simulations using the fragment-based coupled cluster theory accurately reveal the structural and dynamical properties of liquid water.

Funder

National Natural Science Foundation of China

New York University Shanghai

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

Reference72 articles.

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