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Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAccurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric TheoryDavid J. Tannor, Bryan Marten, Robert Murphy, Richard A. Friesner, Doree Sitkoff, Anthony Nicholls, Barry Honig, Murco Ringnalda, and William A. Goddard IIICite this: J. Am. Chem. Soc. 1994, 116, 26, 11875–11882Publication Date (Print):December 1, 1994Publication History Published online1 May 2002Published inissue 1 December 1994https://pubs.acs.org/doi/10.1021/ja00105a030https://doi.org/10.1021/ja00105a030research-articleACS PublicationsRequest reuse permissionsArticle Views2339Altmetric-Citations973LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
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Citations
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Self-citationAndzelm, J., Kölmel, C., & Klamt, A. (1995) · The Journal of Chemical Physics · doi:10.1063/1.469990 · Cited by 853
Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst
Choi, C. H., Kim, M., Kwon, H. C., Cho, S. J., Yun, S., Kim, H.-T., Mayrhofer, K. J. J., Kim, H., & Choi, M. (2016) · Nature Communications · doi:10.1038/ncomms10922 · Cited by 849
Metadata
- Authors
- Tannor, D. J., Marten, B., Murphy, R., Friesner, R. A., Sitkoff, D., Nicholls, A., Honig, B., Ringnalda, M., & Goddard, W. A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1994-12
- Volume
- 116
- Issue
- 26
- Pages
- 11875-11882
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2073637781
- Cited by
- 1,043
- References
- 0
- FWCI
- 11.23
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory. https://app.cochat.ai/papers/10.1021/ja00105a030
- The paper
- 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. https://doi.org/10.1021/ja00105a030
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