DOI: 10.1021/ct501050s. Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

10.1021/ct501050s

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Witte, J., Goldey, M., Neaton, J. B., & Head-Gordon, M. (2015). Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches. Journal of Chemical Theory and Computation, 11(4), 1481â1492.

Authors 4

Jonathon Witte (first)
Matthew Goldey (additional)
Jeffrey B. Neaton (additional)
Martin Head-Gordon (additional)

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Dates

Type	When
Created	10 years, 5 months ago (March 17, 2015, 1:08 p.m.)
Deposited	2 years, 4 months ago (April 16, 2023, 12:02 a.m.)
Indexed	5 days, 21 hours ago (Aug. 23, 2025, 1:11 a.m.)
Issued	10 years, 5 months ago (March 26, 2015)
Published	10 years, 5 months ago (March 26, 2015)
Published Online	10 years, 5 months ago (March 26, 2015)
Published Print	10 years, 4 months ago (April 14, 2015)

Funders 1

Basic Energy Sciences 10.13039/100006151
Region: Americas
gov (National government)
Labels6
1. Office of Basic Energy Sciences
2. DOE Office of Basic Energy Sciences
3. US Department of Energy's Basic Energy Sciences
4. DOE Basic Energy Sciences
5. Department of Energy Basic Energy Sciences Program
6. BES
Awards2
1. DE-AC02-05CH11231
2. DE-FG02-12ER16362

BibTeX

@article{Witte_2015, title={Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches}, volume={11}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct501050s}, DOI={10.1021/ct501050s}, number={4}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Witte, Jonathon and Goldey, Matthew and Neaton, Jeffrey B. and Head-Gordon, Martin}, year={2015}, month=mar, pages={1481–1492} }

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