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The furan microsolvation blind challenge for quantum chemical methods: First steps.

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Title: The furan microsolvation blind challenge for quantum chemical methods: First steps.
Authors: Gottschalk HC; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany., Poblotzki A; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany., Suhm MA; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany., Al-Mogren MM; Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Kingdom of Saudi Arabia., Antony J; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany., Auer AA; Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany., Baptista L; Departamento de Química e Ambiental, Universidade do Estado do Rio de Janeiro, Faculdade de Tecnologia, Resende, RJ, Brazil., Benoit DM; E. A. Milne Centre for Astrophysics and G. W. Gray Centre for Advanced Materials Chemistry, School of Mathematical and Physical Sciences, University of Hull, Hull HU6 7RX, United Kingdom., Bistoni G; Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany., Bohle F; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany., Dahmani R; Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France., Firaha D; Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany., Grimme S; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany., Hansen A; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany., Harding ME; Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany., Hochlaf M; Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France., Holzer C; Theoretical Chemistry Group, Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), P.O. Box 6980, D-76049 Karlsruhe, Germany., Jansen G; Fakultät für Chemie, Universität Duisburg-Essen, Universitätsstraße 5, D-45117 Essen, Germany., Klopper W; Theoretical Chemistry Group, Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), P.O. Box 6980, D-76049 Karlsruhe, Germany., Kopp WA; Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany., Kröger LC; Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany., Leonhard K; Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany., Mouhib H; Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France., Neese F; Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany., Pereira MN; Departamento de Química e Ambiental, Universidade do Estado do Rio de Janeiro, Faculdade de Tecnologia, Resende, RJ, Brazil., Ulusoy IS; Department of Chemistry, Michigan State University, 578 S Shaw Lane, East Lansing, Michigan 48824-1322, USA., Wuttke A; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany., Mata RA; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.
Source: The Journal of chemical physics [J Chem Phys] 2018 Jan 07; Vol. 148 (1), pp. 014301.
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Gottschalk+HC%22">Gottschalk HC</searchLink>; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.<br /><searchLink fieldCode="AU" term="%22Poblotzki+A%22">Poblotzki A</searchLink>; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.<br /><searchLink fieldCode="AU" term="%22Suhm+MA%22">Suhm MA</searchLink>; Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.<br /><searchLink fieldCode="AU" term="%22Al-Mogren+MM%22">Al-Mogren MM</searchLink>; Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Kingdom of Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Antony+J%22">Antony J</searchLink>; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany.<br /><searchLink fieldCode="AU" term="%22Auer+AA%22">Auer AA</searchLink>; Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany.<br /><searchLink fieldCode="AU" term="%22Baptista+L%22">Baptista L</searchLink>; Departamento de Química e Ambiental, Universidade do Estado do Rio de Janeiro, Faculdade de Tecnologia, Resende, RJ, Brazil.<br /><searchLink fieldCode="AU" term="%22Benoit+DM%22">Benoit DM</searchLink>; E. A. Milne Centre for Astrophysics and G. W. Gray Centre for Advanced Materials Chemistry, School of Mathematical and Physical Sciences, University of Hull, Hull HU6 7RX, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bistoni+G%22">Bistoni G</searchLink>; Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany.<br /><searchLink fieldCode="AU" term="%22Bohle+F%22">Bohle F</searchLink>; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany.<br /><searchLink fieldCode="AU" term="%22Dahmani+R%22">Dahmani R</searchLink>; Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France.<br /><searchLink fieldCode="AU" term="%22Firaha+D%22">Firaha D</searchLink>; Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany.<br /><searchLink fieldCode="AU" term="%22Grimme+S%22">Grimme S</searchLink>; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany.<br /><searchLink fieldCode="AU" term="%22Hansen+A%22">Hansen A</searchLink>; Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany.<br /><searchLink fieldCode="AU" term="%22Harding+ME%22">Harding ME</searchLink>; Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany.<br /><searchLink fieldCode="AU" term="%22Hochlaf+M%22">Hochlaf M</searchLink>; Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France.<br /><searchLink fieldCode="AU" term="%22Holzer+C%22">Holzer C</searchLink>; Theoretical Chemistry Group, Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), P.O. Box 6980, D-76049 Karlsruhe, Germany.<br /><searchLink fieldCode="AU" term="%22Jansen+G%22">Jansen G</searchLink>; Fakultät für Chemie, Universität Duisburg-Essen, Universitätsstraße 5, D-45117 Essen, Germany.<br /><searchLink fieldCode="AU" term="%22Klopper+W%22">Klopper W</searchLink>; Theoretical Chemistry Group, Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), P.O. 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