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FWOOPR2014004901
Promotor(s)
K. Hemelsoet, V. Van SpeybroeckDescription
Simulation of electronic excitation and emission spectra using advanced molecular dynamics combined with TD-DFT
FWO G063814N (DT-DFT)
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Project funding (ZAP restricted)
Financierende instantie: FWO
Data: 01/01/2014 to 31/12/2017
Bedrag: €160.000,00
TIER1
2018_18 Investigating the low-frequency vibrational fingerprint of flexible metal-organic frameworks / Period: 05/03/2018 to 05/11/2018 / Node days: 1062 days / Users: A.E.J. Hoffman, A. Lamaire, J. Wieme, V. Van Speybroeck / Remaining days: 1062 days
FWO G063814N (DT-DFT) FWOOPR2014004901
2014-031 Vibrational spectra of Mo-exchanged zeolite materials / Period: 13/11/2014 to 30/04/2015 / Node days: 3700 days / Users: K. Hemelsoet, A. Van Yperen-De Deyne / Remaining days: 0 days
FWO G063814N (DT-DFT) FWOOPR2014004901
Project publications (A1)
Chemical Society Reviews Vol. 44 , 7044-7111 (2015)
Advances in theory and their application within the field of zeolite chemistryhttp://dx.doi.org/10.1039/C5CS00029G
Project related conferences, workshops, meetings & stays
Next generation quantum based molecular dynamics: challenges and perspectives
Mon, 13/07/2015 to Fri, 17/07/2015
Perspectives of many-particle methods: total energy, spectroscopy and time-dependent dynamics
Mon, 20/04/2015 to Fri, 24/04/2015
Postscript First
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Preface First
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Preface Third
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