Sphere Encapsulated Monte Carlo: Obtaining Minimum Energy Configurations of Large Aromatic Systems-Reference-Cited by-同舟云学术

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Sphere Encapsulated Monte Carlo: Obtaining Minimum Energy Configurations of Large Aromatic Systems

Published:2019-07-24 Issue:33 Volume:123 Page:7303-7313
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bowal Kimberly¹,Grančič Peter²,Martin Jacob W.¹³^ORCID,Kraft Markus¹³⁴^ORCID

Affiliation:

1. Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge CB3 0AS, U.K.

2. Institute of Soil Research, University of Natural Resources and Life Sciences, Vienna A-1190, Austria

3. Cambridge Centre for Advanced Research and Education in Singapore (CARES), Singapore 138602, Singapore

4. School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 637459, Singapore

Funder

National Research Foundation Singapore

King's College Cambridge, University of Cambridge

Cambridge Commonwealth, European and International Trust

Alexander von Humboldt-Stiftung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b04821

Reference68 articles.

1. Progress in Modeling of Protein Structures and Interactions

2. Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters

3. Modelling the internal structure of nascent soot particles

4. Evolution of the potential energy surface with size for Lennard-Jones clusters

5. A strategy to find minimal energy nanocluster structures

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