Exploration of hydrogen bond networks and potential energy surfaces of methanol clusters using a two-stage clustering algorithm-Reference-Cited by-同舟云学术

Exploration of hydrogen bond networks and potential energy surfaces of methanol clusters using a two-stage clustering algorithm

Published:2017 Issue:1 Volume:19 Page:544-556
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hsu Po-Jen¹²³⁴⁵^ORCID,Ho Kun-Lin¹²³⁴,Lin Sheng-Hsien¹²³⁴⁵,Kuo Jer-Lai¹²³⁴

Affiliation:

1. Institute of Atomic and Molecular Sciences

2. Academia Sinica

3. Taipei

4. Taiwan

5. Department of Applied Chemistry

Abstract

A two-stage algorithm based both on the similarity in shape and hydrogen bond network is developed to explore the potential energy surface of methanol clusters.

Funder

Academia Sinica

Ministry of Science and Technology, Taiwan

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP07120A

Reference49 articles.

1. On the crystal structures, residual entropy and dielectric anomaly of methanol

2. Structure of the α-phase of solid methanol

3. L. Pauling , The Nature of Chemical Bond, Oxford University, Oxford, 3rd edn, 1967

4. Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water

5. Molecular-dynamics simulation of liquid methanol

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