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09:00 - 10:30
2901 : Thursday morning session 1
Room: Chimie ParisTech, Amphi Friedel
09:00 - 09:30
Lecture_176
Benchmarking dioxygen complexes: coupled cluster and density functional theory
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Marcel SWART, ICREA Pg. Lluís Companys 23, Barcelona, Spain | Universitat de Girona IQCC and Dept. Chem. ParcUdG, c/Emili Grahit 91, Girona, Spain
09:30 - 09:50
Lecture_104
QM study of energy barriers of breaking networks: hydrolysis of borate glasses
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Francesco MUNIZ-MIRANDA, Dipartimento di Scienze Chimiche e Geologiche (DSCG), Università degli Studi di Modena e Reggio Emilia (UniMORE), Modena, Italy
09:50 - 10:10
Lecture_099
Dissociative chemisorption: A new paradigm for density functional design
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Nick GERRITS, Leiden University - Theoretical Chemistry, Leiden, Netherlands
10:10 - 10:30
Lecture_136
CrystalDFT: Sustainable Crystal Piezoelectrics Screening
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Shubham VISHNOI, Department of Physics, Bernal Institute, University of Limerick, Limerick, Ireland

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