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Researcher
Quan Phung
- Disciplines:Physical chemistry, Theoretical and computational chemistry, Other chemical sciences, Biochemistry and metabolism, Medical biochemistry and metabolism, Atmospheric sciences
Affiliations
- Quantum Chemistry and Physical Chemistry (Division)
Member
From1 Sep 2010 → 15 Jan 2019
Projects
1 - 1 of 1
- Chemisorption reaction mechanisms for ruthenium atomic layer deposition (ALD): an atomistic insight.From1 Oct 2012 → 30 Sep 2016Funding: FWO fellowships
Publications
1 - 10 of 19
- H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods(2017)
Authors: Quan Phung, Simon Hallaert, Kristine Pierloot
Pages: 10590 - 10601 - Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second- Order Perturbation Theory(2017)
Authors: Quan Phung
Pages: 537 - 553 - Atomic layer deposition of ruthenium thin films from (ethylbenzyl) (1-ethyl-1,4-cyclohexadienyl) Ru: process characteristics, surface chemistry, and film properties(2017)
Authors: Benjamin Groven, Quan Phung, Shibesh Dutta, Johan Meersschaut, Annelies Delabie
Pages: 4654 - 4666 - Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study(2016)
Authors: Quan Phung, Kristine Pierloot
Pages: 4352 - 4361 - Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity.(2016)
Authors: Sergio Augusto Venturinelli Jannuzzi, Quan Phung, Alex Domingo, André Luiz Barboza Formiga, Kristine Pierloot
Pages: 5168 - 5179 - Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity(2016)
Authors: Sergio Augusto Venturinelli Jannuzzi, Quan Phung, Kristine Pierloot
Pages: 5168 - 5179 - Structural relaxation effects on the lowest 4f-5d transition of Ce3+ in garnets(2016)
Authors: Quan Phung
Pages: 141 - 149Number of pages: 9 - Atomic Layer Deposition of Ruthenium on Ruthenium Surfaces: A Theoretical Study(2015)
Authors: Quan Phung, Kristine Pierloot, Annelies Delabie
Pages: 6592 - 6603 - Atomic Layer Deposition of Ruthenium on Ruthenium Surfaces: A Theoretical Study(2015)
Authors: Quan Phung, Georey Pourtois, Johan Swerts, Kristine Pierloot, Annelies Delabie
Pages: 6592 - 6603 - Structural relaxation effects on the lowest 4f-5d transition of Ce3+ in garnets(2015)
Authors: Quan Phung, Zoila Barandiarán, Luis Seijo
Pages: 37 - 45