Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets-Reference-Cited by-同舟云学术

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Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets

Published:2017-06-06 Issue:7 Volume:13 Page:3136-3152
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Manna Debashree¹,Kesharwani Manoj K.¹,Sylvetsky Nitai¹,Martin Jan M. L.¹^ORCID

Affiliation:

1. Department of Organic Chemistry, Weizmann Institute of Science, 76100 Rechovot, Israel

Funder

Israel Science Foundation

Feinberg Graduate School, Weizmann Institute of Science

Minerva Foundation

Helen and Martin Kimmel Center for Molecular Design, Weizmann Institute of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b01046

Reference122 articles.

1. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

2. Calculations on Noncovalent Interactions and Databases of Benchmark Interaction Energies

3. Density functional theory with London dispersion corrections

4. Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy

5. Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions

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