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The first HyDRA challenge for computational vibrational spectroscopy.
Fischer, Taija L; Bödecker, Margarethe; Schweer, Sophie M; Dupont, Jennifer; Lepère, Valéria; Zehnacker-Rentien, Anne; Suhm, Martin A; Schröder, Benjamin; Henkes, Tobias; Andrada, Diego M; Balabin, Roman M; Singh, Haobam Kisan; Bhattacharyya, Himangshu Pratim; Sarma, Manabendra; Käser, Silvan; Töpfer, Kai; Vazquez-Salazar, Luis I; Boittier, Eric D; Meuwly, Markus; Mandelli, Giacomo; Lanzi, Cecilia; Conte, Riccardo; Ceotto, Michele; Dietrich, Fabian; Cisternas, Vicente; Gnanasekaran, Ramachandran; Hippler, Michael; Jarraya, Mahmoud; Hochlaf, Majdi; Viswanathan, Narasimhan; Nevolianis, Thomas; Rath, Gabriel; Kopp, Wassja A; Leonhard, Kai; Mata, Ricardo A.
Affiliation
  • Fischer TL; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
  • Bödecker M; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
  • Schweer SM; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
  • Dupont J; Institut des Sciences Moléculaires dOrsay, Université Paris-Saclay, CNRS, 91405 Orsay, France.
  • Lepère V; Institut des Sciences Moléculaires dOrsay, Université Paris-Saclay, CNRS, 91405 Orsay, France.
  • Zehnacker-Rentien A; Institut des Sciences Moléculaires dOrsay, Université Paris-Saclay, CNRS, 91405 Orsay, France.
  • Suhm MA; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
  • Schröder B; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
  • Henkes T; Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.
  • Andrada DM; Institute for Inorganic Chemistry, Saarland University, 66123 Saarbrücken, Germany.
  • Balabin RM; Bond Street Holdings, Long Point Road, KN-1002 Henville Building 9, Charlestown, KN10 Nevis, St. Kitts and Nevis.
  • Singh HK; Department of Chemistry, Indian Institute of Technology Guwahati, Assam-781039, India.
  • Bhattacharyya HP; Department of Chemistry, Indian Institute of Technology Guwahati, Assam-781039, India.
  • Sarma M; Department of Chemistry, Indian Institute of Technology Guwahati, Assam-781039, India.
  • Käser S; Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.
  • Töpfer K; Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.
  • Vazquez-Salazar LI; Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.
  • Boittier ED; Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.
  • Meuwly M; Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland.
  • Mandelli G; Dipartimento di Chimica, Università degli Studi di Milano, via C. Golgi 19, 20133 Milano, Italy.
  • Lanzi C; Dipartimento di Chimica, Università degli Studi di Milano, via C. Golgi 19, 20133 Milano, Italy.
  • Conte R; Dipartimento di Chimica, Università degli Studi di Milano, via C. Golgi 19, 20133 Milano, Italy.
  • Ceotto M; Dipartimento di Chimica, Università degli Studi di Milano, via C. Golgi 19, 20133 Milano, Italy.
  • Dietrich F; Department of Physics Science, Universidad de La Frontera, Francisco Salazar 01145, Temuco, Chile.
  • Cisternas V; Department of Physics Science, Universidad de La Frontera, Francisco Salazar 01145, Temuco, Chile.
  • Gnanasekaran R; Vellore Institute of Technology, School of Advanced Sciences (SAS), ChemistryDivision, Chennai 600 027, India.
  • Hippler M; Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK.
  • Jarraya M; U. Gustave Eiffel, COSYS/IMSE, 5 BD Descartes 77454, Champs-sur-Marne, France.
  • Hochlaf M; U. Gustave Eiffel, COSYS/IMSE, 5 BD Descartes 77454, Champs-sur-Marne, France.
  • Viswanathan N; Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, D-52072 Aachen, Germany.
  • Nevolianis T; Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, D-52072 Aachen, Germany.
  • Rath G; Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, D-52072 Aachen, Germany.
  • Kopp WA; Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, D-52072 Aachen, Germany.
  • Leonhard K; Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstraße 8, D-52072 Aachen, Germany.
  • Mata RA; Institut für Physikalische Chemie, Universität Göttingen, Tammannstraße 6, Göttingen, Germany. rmata@gwdg.de.
Phys Chem Chem Phys ; 25(33): 22089-22102, 2023 Aug 23.
Article in En | MEDLINE | ID: mdl-37610422
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2023 Type: Article Affiliation country: Germany
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2023 Type: Article Affiliation country: Germany