Researcher
Frank Blockhuys
- Research Expertise:- Calculations on the properties of molecules, surfaces and solids using high-level quantum chemical methods - Quantum Chemical Mass Spectrometry for Materials Science (QCMS2) - Organic synthesis of compounds with semi-conducting and/or (non-linear) optical properties
- Keywords:CONJUGATED OLIGOMERS, Chemistry (incl. biochemistry)
- Disciplines:Analytical chemistry
- Research techniques:- Central (CalcUA) and local computer clusters - Single-crystal X-ray and gas-electron diffraction
- Users of research expertise:- Pharmaceutical industry - Chemical industry
Affiliations
- Structural chemistry group (STRUCCHEM) (Research group)
Responsible
From1 Oct 2013 → Today - Structural chemistry group (STRUCCHEM) (Research group)
Member
From1 Oct 2003 → 30 Sep 2013
Projects
1 - 9 of 9
- Tailoring the properties of surface-modified titania for metal sorption;From1 Nov 2023 → TodayFunding: FWO fellowships
- Tailoring the properties of surface-modified titania for metal sorptionFrom1 Nov 2022 → 31 Oct 2023Funding: BOF - doctoral mandates
- A generalised method for the screening and selection of noncentrosymmetriccrystals for performant NLO-materials.From1 Jan 2016 → 31 Dec 2016Funding: FWO Strategic Basic Research Grant
- Development of new benzo[j]phenanthridine-7,12-diones as potential antimycobacterial compounds.From1 Jan 2015 → 31 Dec 2018Funding: IWT personal funding - strategic basic research grants
- A new computational tool for the prediction of the mass spectra of peptides and lipids.From1 Jan 2015 → 31 Dec 2018Funding: IWT personal funding - strategic basic research grants
- Studying the surface properties of organic modified transition metal oxides.From1 Jan 2012 → 31 Dec 2015Funding: FWO research project (including WEAVE projects)
- Calorimetry and upscaling of organic opto-electronic materials.From1 Jan 2010 → 31 Dec 2011Funding: BOF - Other initiatives
- Molecular and Crystal Engineering: Asymmetric Oligomers for Polar Crystals.From1 Jan 2009 → 31 Dec 2010Funding: IWT personal funding - specialisation scholarships
- Organic semiconductors for advanced memory applications: miniaturisation through integration.From1 Jan 2008 → 31 Dec 2009Funding: IWT personal funding - specialisation scholarships
Publications
1 - 10 of 57
- Self‐induced and progressive photo‐oxidation of organophosphonic acid grafted titanium dioxide(2023)
Authors: Nick Gys, Bram Pawlak, Kristof Marcoen, Gunter Reekmans, Leticia F. Velasco, Rui An, Kenny Wyns, Kitty Baert, Kaimin Zhang, Léon Luntadila Lufungula, et al.
Pages: 1 - 27 - The challenging world of simple inorganic rings(2023)
Authors: Ana Cunha, Remco W.A. Havenith, Kris Van Alsenoy, Frank Blockhuys
Pages: 1 - 7 - Inducing differences in modification degree and binding mode of organophosphonic acid grafted titania by changing pH and hydrocarbon chain length(2023)
Authors: Rui An, Lourdes Chukiwanka Quiñones, Nick Gys, Elien Derveaux, Kitty Baert, Tom Hauffman, Peter Adriaensens, Frank Blockhuys, Vera Meynen
Pages: 1 - 14 - Amino-alkylphosphonate-grafted TiO₂(2022)
Authors: Nick Gys, Rui An, Bram Pawlak, David Vogelsang, Kenny Wyns, Kitty Baert, Alexander Vansant, Frank Blockhuys, Peter Adriaensens, Tom Hauffman, et al.
Pages: 45409 - 45421 - Exploring the reactivity of aliphatic and phenolic hydroxyl groups in lignin hydrogenolysis oil towards urethane bond formation(2022)
Authors: M. Rubens, Maarten Vanwesemael, E. Feghali, Léon Luntadila Lufungula, Frank Blockhuys, K. Vanbroekhoven, Walter Eevers, R. Vendamme
Pages: 1 - 10 - Selective Pd recovery from acidic leachates by 3-mercaptopropylphosphonic acid grafted TiO₂(2022)
Authors: Nick Gys, Bram Pawlak, Léon Luntadila Lufungula, Kristof Marcoen, Kenny Wyns, Kitty Baert, Thomas Abo Atia, Jeroen Spooren, Peter Adriaensens, Frank Blockhuys, et al.
Pages: 36046 - 36062 - Experimental and computational insights into the aminopropylphosphonic acid modification of mesoporous TiO₂ powder(2021)
Authors: Nick Gys, Laurens Siemons, Bram Pawlak, Kenny Wyns, Kitty Baert, Tom Hauffman, Peter Adriaensens, Frank Blockhuys, Bart Michielsen, Steven Mullens, et al.
- The interaction of water with organophosphonic acid surface modified titania(2020)
Authors: Jeroen Van Dijck, Hilde Lenaerts, Laurens Siemons, Frank Blockhuys, Vera Meynen
- An overview of self-consistent field calculations within finite basis sets(2020)
Authors: Susi Lehtola, Frank Blockhuys, Kris Van Alsenoy
Pages: 1 - 23 - Quantum chemical mass spectrometry: Ab initio study of b₂-ion formation mechanisms for the singly protonated Gln-His-Ser tripeptide(2020)
Authors: Julie Cautereels, Julien Giribaldi, Christine Enjalbal, Frank Blockhuys
Pages: 1 - 13