Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics-Reference-Cited by-同舟云学术

Comparative Analysis of Uncoupled Mode Approximations for Molecular Thermochemistry and Kinetics

Published:2022-10-21 Issue:11 Volume:18 Page:6866-6877
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Li Shih-Cheng¹,Lin Yen-Chun¹,Li Yi-Pei¹²^ORCID

Affiliation:

1. Department of Chemical Engineering, National Taiwan University, No. 1, Sec. 4, Roosevelt Road, Taipei 10617, Taiwan

2. Taiwan International Graduate Program on Sustainable Chemical Science and Technology (TIGP-SCST), Academia Sinica, No. 128, Sec. 2, Academia Road, Taipei 11529, Taiwan

Funder

Ministry of Science and Technology, Taiwan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00664

Reference71 articles.

1. Analysis of the Reaction Mechanism and Catalytic Activity of Metal-Substituted Beta Zeolite for the Isomerization of Glucose to Fructose

2. Computational Study of p-Xylene Synthesis from Ethylene and 2,5-Dimethylfuran Catalyzed by H-BEA

3. Synergistic effects of Pt-embedded, MIL-53-derived catalysts (Pt@Al2O3) and NaBH4 for water-mediated hydrogenolysis of biomass-derived furfural to 1,5-pentanediol at near-ambient temperature

4. Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA

5. Diels–Alder Conversion of Acrylic Acid and 2,5‐Dimethylfuran to para ‐Xylene Over Heterogeneous Bi‐BTC Metal‐Organic Framework Catalysts Under Mild Conditions

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