Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics-Reference-Cited by-同舟云学术

Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics

Published:2023-05-17 Issue:11 Volume:19 Page:3159-3171
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Epstein Alexander Rizzolo¹^ORCID,Spotte-Smith Evan Walter Clark¹²^ORCID,Venetos Maxwell C.¹²^ORCID,Andriuc Oxana³⁴^ORCID,Persson Kristin Aslaug¹⁵^ORCID

Affiliation:

1. Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States

2. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

3. Department of Chemistry, University of California, Berkeley, California 94720, United States

4. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

5. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Basic Energy Sciences

National Energy Research Scientific Computing Center

Kavli Foundation

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00176

Reference120 articles.

1. ATP synthase: what we know about ATP hydrolysis and what we do not know about ATP synthesis

2. Actin Polymerization and ATP Hydrolysis

3. Atmospheric Chemistry of Oxygenated Volatile Organic Compounds: Impacts on Air Quality and Climate

4. Critical review of hydrolysis of organic compounds in water under environmental conditions

5. The Degradation of Organophosphorus Pesticides in Natural Waters: A Critical Review

Cited by 2 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. Building a New Platform for Significantly Improving Performance of Hartree–Fock and CCSD(T) Correlation Energy Based on Two-Point Complete Basis Set Extrapolation Schemes;The Journal of Physical Chemistry A;2024-04-30

2. Quantum-Chemistry Study of the Hydrolysis Reaction Profile in Borate Networks: A Benchmark;Molecules;2024-03-09