DOI: 10.1021/ja00105a030. Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

10.1021/ja00105a030

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Tannor, D. J., Marten, B., Murphy, R., Friesner, R. A., Sitkoff, D., Nicholls, A., Honig, B., Ringnalda, M., & Goddard, W. A. (1994). Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory. Journal of the American Chemical Society, 116(26), 11875â11882.

Authors 9

David J. Tannor (first)
Bryan Marten (additional)
Robert Murphy (additional)
Richard A. Friesner (additional)
Doree Sitkoff (additional)
Anthony Nicholls (additional)
Barry Honig (additional)
Murco Ringnalda (additional)
William A. Goddard (additional)

References 0 Referenced 990

None

Dates

Type	When
Created	20 years, 5 months ago (March 18, 2005, 9:15 p.m.)
Deposited	2 years, 4 months ago (March 30, 2023, 8:06 a.m.)
Indexed	3 weeks ago (Aug. 6, 2025, 9:46 a.m.)
Issued	30 years, 8 months ago (Dec. 1, 1994)
Published	30 years, 8 months ago (Dec. 1, 1994)
Published Online	23 years, 3 months ago (May 1, 2002)
Published Print	30 years, 8 months ago (Dec. 1, 1994)

Funders 0

None

BibTeX

@article{Tannor_1994, title={Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory}, volume={116}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja00105a030}, DOI={10.1021/ja00105a030}, number={26}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Tannor, David J. and Marten, Bryan and Murphy, Robert and Friesner, Richard A. and Sitkoff, Doree and Nicholls, Anthony and Honig, Barry and Ringnalda, Murco and Goddard, William A.}, year={1994}, month=dec, pages={11875–11882} }

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