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

Author:

Gottschalk Hannes C.1ORCID,Poblotzki Anja1ORCID,Suhm Martin A.1ORCID,Al-Mogren Muneerah M.2,Antony Jens3,Auer Alexander A.4ORCID,Baptista Leonardo5ORCID,Benoit David M.6ORCID,Bistoni Giovanni4,Bohle Fabian3,Dahmani Rahma7ORCID,Firaha Dzmitry8,Grimme Stefan3ORCID,Hansen Andreas3ORCID,Harding Michael E.9ORCID,Hochlaf Majdi7ORCID,Holzer Christof10,Jansen Georg11,Klopper Wim10ORCID,Kopp Wassja A.8ORCID,Kröger Leif C.8ORCID,Leonhard Kai8ORCID,Mouhib Halima7,Neese Frank4,Pereira Max N.5,Ulusoy Inga S.12ORCID,Wuttke Axel1,Mata Ricardo A.1ORCID

Affiliation:

1. Institut für Physikalische Chemie, University of Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany

2. Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Kingdom of Saudi Arabia

3. Mulliken Center for Theoretical Chemistry, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany

4. Department of Molecular Theory and Spectroscopy, Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany

5. Departamento de Química e Ambiental, Universidade do Estado do Rio de Janeiro, Faculdade de Tecnologia, Resende, RJ, Brazil

6. 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

7. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-La-Vallée, France

8. Lehrstuhl für Technische Thermodynamik, RWTH Aachen University, D-52062 Aachen, Germany

9. Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany

10. Theoretical Chemistry Group, Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), P.O. Box 6980, D-76049 Karlsruhe, Germany

11. Fakultät für Chemie, Universität Duisburg-Essen, Universitätsstraße 5, D-45117 Essen, Germany

12. Department of Chemistry, Michigan State University, 578 S Shaw Lane, East Lansing, Michigan 48824-1322, USA

Funder

European Cooperation in Science and Technology

Deutsche Forschungsgemeinschaft

King Saud University

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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