Refined metadynamics through canonical sampling using time‐invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions-Reference-Cited by-同舟云学术

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Refined metadynamics through canonical sampling using time‐invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions

Published:2020-10-29 Issue:3 Volume:42 Page:156-165
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Kondo Tomomi¹²,Sasaki Takehiko¹,Ruiz‐Barragan Sergi²,Ribas‐Ariño Jordi³,Shiga Motoyuki²^ORCID

Affiliation:

1. Department of Complexity Science and Engineering, Graduate School of Frontier Sciences The University of Tokyo Kashiwa Japan

2. Center for Computational Science and e‐Systems Japan Atomic Energy Agency Chiba Japan

3. Departament de Ciència dels Materials i Química Física and IQTCUB Universitat de Barcelona Barcelona Spain

Funder

University of the East

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26443

Reference75 articles.

1. Computer Simulation of Liquids

2. Free Energy Calculations

3. Exploring high‐dimensional free energy landscapes of chemical reactions

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Theoretical study of cellobiose conversion by supported metal catalysts;Chemical Physics Letters;2024-06

2. Mechanistic insights into the conversion of polyalcohols over Brønsted acid sites;Catalysis Science & Technology;2023

3. X-ray absorption spectra of aqueous cellobiose: Experiment and theory;The Journal of Chemical Physics;2022-01-28

4. The mechanism of sorbitol dehydration in hot acidic solutions;Journal of Computational Chemistry;2021-07-09

5. “Dividing and Conquering” and “Caching” in Molecular Modeling;International Journal of Molecular Sciences;2021-05-10

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