Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals

Author:

Janthon Patanachai123,Luo Sijie (Andy)4,Kozlov Sergey M.1,Viñes Francesc1,Limtrakul Jumras23,Truhlar Donald G.4,Illas Francesc1

Affiliation:

1. Departament de Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1, 08028, Barcelona, Spain

2. Department of Chemistry and NANOTEC Center for Nanoscale Materials Design for Green Nanotechnology, Kasetsart University, Bangkok 10900, Thailand

3. PTT Group Frontier Research Center, PTT Public Company Limited, 555 Vibhavadi Rangsit Road, Chatuchak, Bangkok 10900, Thailand

4. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Funder

National Science and Technology Development Agency

Ministerio de Economía y Competitividad

Air Force Office of Scientific Research

Ministerio de Educación, Cultura y Deporte

Generalitat de Catalunya

Institució Catalana de Recerca i Estudis Avançats

Ministerio de Ciencia e Innovación

Postgraduate Education and Research Programs in Petroleum and Petrochemicals and Advanced Materials

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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