Theoretische Chemie (German Wikipedia)

Analysis of information sources in references of the Wikipedia article "Theoretische Chemie" in German language version.

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18doi.org

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14zdb-katalog.de

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1nature.com

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Frank Jensen: Computational Chemistry: The Exciting Opportunities and the Boring Details. In: Israel Journal of Chemistry. Band 62, Nr. 1-2, Februar 2022, ISSN 0021-2148, doi:10.1002/ijch.202100027 (englisch).
David S. Wishart: Introduction to Cheminformatics. In: Current Protocols in Bioinformatics. Band 18, Nr. 1, Juni 2007, ISSN 1934-3396, doi:10.1002/0471250953.bi1401s18 (englisch).
M. Born, R. Oppenheimer: Zur Quantentheorie der Molekeln. In: Annalen der Physik. Band 389, Nr. 20, 1927, ISSN 1521-3889, S. 457–484, doi:10.1002/andp.19273892002.
Björn O. Roos, Peter R. Taylor, Per E. M. Sigbahn: A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach. In: Chemical Physics. Band 48, Nr. 2, 15. Mai 1980, ISSN 0301-0104, S. 157–173, doi:10.1016/0301-0104(80)80045-0.
Chr. Møller, M. S. Plesset: Note on an Approximation Treatment for Many-Electron Systems. In: Physical Review. Band 46, Nr. 7, 1. Oktober 1934, S. 618–622, doi:10.1103/PhysRev.46.618 (englisch).
Jiří Čížek: On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods. In: The Journal of Chemical Physics. Band 45, Nr. 11, 1. Dezember 1966, ISSN 0021-9606, S. 4256–4266, doi:10.1063/1.1727484.
Kerstin. Andersson, Per Aake. Malmqvist, Bjoern O. Roos, Andrzej J. Sadlej, Krzysztof. Wolinski: Second-order perturbation theory with a CASSCF reference function. In: The Journal of Physical Chemistry. Band 94, Nr. 14, Juli 1990, ISSN 0022-3654, S. 5483–5488, doi:10.1021/j100377a012.
J. H. van Lenthe, G. G. Balint‐Kurti: The valence‐bond self‐consistent field method (VB–SCF): Theory and test calculations. In: The Journal of Chemical Physics. Band 78, Nr. 9, 1. Mai 1983, ISSN 0021-9606, S. 5699–5713, doi:10.1063/1.445451.
Philippe C. Hiberty, Sason Shaik: Breathing-orbital valence bond method – a modern valence bond method that includes dynamic correlation. In: Theoretical Chemistry Accounts. Band 108, Nr. 5, 1. November 2002, ISSN 1432-2234, S. 255–272, doi:10.1007/s00214-002-0364-8.
Walter Thiel: Semiempirical quantum–chemical methods. In: Wiley Interdisciplinary Reviews: Computational Molecular Science. Band 4, Nr. 2, 1. März 2014, ISSN 1759-0884, S. 145–157, doi:10.1002/wcms.1161.
P. Hohenberg, W. Kohn: Inhomogeneous Electron Gas. In: Physical Review. Band 136, 3B, 9. November 1964, S. B864–B871, doi:10.1103/PhysRev.136.B864.
W. Kohn, L. J. Sham: Self-Consistent Equations Including Exchange and Correlation Effects. In: Physical Review. Band 140, 4A, 15. November 1965, S. A1133–A1138, doi:10.1103/PhysRev.140.A1133.
John P. Perdew, Karla Schmidt: Jacob’s ladder of density functional approximations for the exchange-correlation energy. In: AIP Conference Proceedings. Band 577, Nr. 1, 6. Juli 2001, ISSN 0094-243X, S. 1–20, doi:10.1063/1.1390175.
Axel D. Becke: Perspective: Fifty years of density-functional theory in chemical physics. In: The Journal of Chemical Physics. Band 140, Nr. 18, 1. April 2014, ISSN 0021-9606, S. 18A301, doi:10.1063/1.4869598.
Norman L. Allinger: Force Fields: A Brief Introduction. In: Encyclopedia of Computational Chemistry. American Cancer Society, 2002, ISBN 978-0-470-84501-1, doi:10.1002/0470845015.cfa007s.
Lee-Ping Wang, Alexey Titov, Robert McGibbon, Fang Liu, Vijay S. Pande: Discovering chemistry with an ab initio nanoreactor. In: Nature Chemistry. Band 6, Nr. 12, Dezember 2014, ISSN 1755-4349, S. 1044–1048, doi:10.1038/nchem.2099 (nature.com [abgerufen am 31. Dezember 2019]).
A. D. Becke, K. E. Edgecombe: A simple measure of electron localization in atomic and molecular systems. In: The Journal of Chemical Physics. Band 92, Nr. 9, 1. Mai 1990, ISSN 0021-9606, S. 5397–5403, doi:10.1063/1.458517.
Richard F. W. Bader: A quantum theory of molecular structure and its applications. In: Chemical Reviews. Band 91, Nr. 5, 1. Juli 1991, ISSN 0009-2665, S. 893–928, doi:10.1021/cr00005a013.

nature.com

Lee-Ping Wang, Alexey Titov, Robert McGibbon, Fang Liu, Vijay S. Pande: Discovering chemistry with an ab initio nanoreactor. In: Nature Chemistry. Band 6, Nr. 12, Dezember 2014, ISSN 1755-4349, S. 1044–1048, doi:10.1038/nchem.2099 (nature.com [abgerufen am 31. Dezember 2019]).

zdb-katalog.de

Frank Jensen: Computational Chemistry: The Exciting Opportunities and the Boring Details. In: Israel Journal of Chemistry. Band 62, Nr. 1-2, Februar 2022, ISSN 0021-2148, doi:10.1002/ijch.202100027 (englisch).
David S. Wishart: Introduction to Cheminformatics. In: Current Protocols in Bioinformatics. Band 18, Nr. 1, Juni 2007, ISSN 1934-3396, doi:10.1002/0471250953.bi1401s18 (englisch).
M. Born, R. Oppenheimer: Zur Quantentheorie der Molekeln. In: Annalen der Physik. Band 389, Nr. 20, 1927, ISSN 1521-3889, S. 457–484, doi:10.1002/andp.19273892002.
Björn O. Roos, Peter R. Taylor, Per E. M. Sigbahn: A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach. In: Chemical Physics. Band 48, Nr. 2, 15. Mai 1980, ISSN 0301-0104, S. 157–173, doi:10.1016/0301-0104(80)80045-0.
Jiří Čížek: On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods. In: The Journal of Chemical Physics. Band 45, Nr. 11, 1. Dezember 1966, ISSN 0021-9606, S. 4256–4266, doi:10.1063/1.1727484.
Kerstin. Andersson, Per Aake. Malmqvist, Bjoern O. Roos, Andrzej J. Sadlej, Krzysztof. Wolinski: Second-order perturbation theory with a CASSCF reference function. In: The Journal of Physical Chemistry. Band 94, Nr. 14, Juli 1990, ISSN 0022-3654, S. 5483–5488, doi:10.1021/j100377a012.
J. H. van Lenthe, G. G. Balint‐Kurti: The valence‐bond self‐consistent field method (VB–SCF): Theory and test calculations. In: The Journal of Chemical Physics. Band 78, Nr. 9, 1. Mai 1983, ISSN 0021-9606, S. 5699–5713, doi:10.1063/1.445451.
Philippe C. Hiberty, Sason Shaik: Breathing-orbital valence bond method – a modern valence bond method that includes dynamic correlation. In: Theoretical Chemistry Accounts. Band 108, Nr. 5, 1. November 2002, ISSN 1432-2234, S. 255–272, doi:10.1007/s00214-002-0364-8.
Walter Thiel: Semiempirical quantum–chemical methods. In: Wiley Interdisciplinary Reviews: Computational Molecular Science. Band 4, Nr. 2, 1. März 2014, ISSN 1759-0884, S. 145–157, doi:10.1002/wcms.1161.
John P. Perdew, Karla Schmidt: Jacob’s ladder of density functional approximations for the exchange-correlation energy. In: AIP Conference Proceedings. Band 577, Nr. 1, 6. Juli 2001, ISSN 0094-243X, S. 1–20, doi:10.1063/1.1390175.
Axel D. Becke: Perspective: Fifty years of density-functional theory in chemical physics. In: The Journal of Chemical Physics. Band 140, Nr. 18, 1. April 2014, ISSN 0021-9606, S. 18A301, doi:10.1063/1.4869598.
Lee-Ping Wang, Alexey Titov, Robert McGibbon, Fang Liu, Vijay S. Pande: Discovering chemistry with an ab initio nanoreactor. In: Nature Chemistry. Band 6, Nr. 12, Dezember 2014, ISSN 1755-4349, S. 1044–1048, doi:10.1038/nchem.2099 (nature.com [abgerufen am 31. Dezember 2019]).
A. D. Becke, K. E. Edgecombe: A simple measure of electron localization in atomic and molecular systems. In: The Journal of Chemical Physics. Band 92, Nr. 9, 1. Mai 1990, ISSN 0021-9606, S. 5397–5403, doi:10.1063/1.458517.
Richard F. W. Bader: A quantum theory of molecular structure and its applications. In: Chemical Reviews. Band 91, Nr. 5, 1. Juli 1991, ISSN 0009-2665, S. 893–928, doi:10.1021/cr00005a013.