Experimental and Modeling Studies of Local and Nanoscale <i>para</i>-Cresol Behavior: A Comparison of Classical Force Fields-Reference-Cited by-同舟云学术

Experimental and Modeling Studies of Local and Nanoscale para-Cresol Behavior: A Comparison of Classical Force Fields

Published:2023-04-11 Issue:15 Volume:127 Page:3305-3316
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Morton Katie S. C.¹²,Elena Alin M.³,Armstrong Jeff⁴^ORCID,O’Malley Alexander J.¹²^ORCID

Affiliation:

1. Institute for Sustainability, University of Bath, Bath BA2 7AY, United Kingdom

2. UK Catalysis Hub, Research Complex at Harwell, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Oxford OX11 0FA, United Kingdom

3. Daresbury Laboratory, STFC, Daresbury WA4 4AD, United Kingdom

4. ISIS Pulsed Neutron and Muon Facility, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c08022

Reference54 articles.

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2. Kinetic modeling of growth and biodegradation of phenol and m-cresol using Alcaligenes faecalis

3. Final Report on the Safety Assessment of Sodium p -Chloro- m -Cresol, p -Chloro- m -Cresol, Chlorothymol, Mixed Cresols, m -Cresol, o -Cresol, p -Cresol, Isopropyl Cresols, Thymol, o -Cymen-5-ol, and Carvacrol1

4. Aromatic hydrocarbon production by catalytic pyrolysis of palm kernel shell waste using a bifunctional Fe/HBeta catalyst: effect of lignin-derived phenolics on zeolite deactivation

5. Primary and secondary lignin pyrolysis reaction pathways

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