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
21 - 30 of 57
- Revealing the influence of the solvent in combination with temperature, concentration and pH on the modification of $TiO_{2}$ with 3PA(2016)
Authors: Annelore Roevens, Jeroen Van Dijck, Marco Tassi, Jan D'Haen, Robert Carleer, Peter Adriaensens, Frank Blockhuys, Vera Meynen
Pages: 324 - 334 - Vibrational spectral analysis, electronic absorption and non-linear optical behavior of (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one(2015)
Authors: S. Alen, D. Sajan, K. Job Sabu, Tom Sundius, K. Chaitanya, Frank Blockhuys, V. Bena Jothy
Pages: 1 - 10 - FOHI-D(2014)
Authors: Davy Geldof, A. Krishtal, Frank Blockhuys, Kris Van Alsenoy
- 2-hydroxyterpenylic acid(2014)
Authors: Ariane Kahnt, Yoshiteru Iinuma, Frank Blockhuys, Reinhilde Vermeylen, Willy Maenhaut, Magda Claeys-Maenhaut, et al.
Pages: 4901 - 4908 - Experimental and computational study on the structure and properties of herz cations and radicals: 1,2,3-benzodithiazolium, 1,2,3-benzodithiazolyl, and their Se congeners(2013)
Authors: Alexander Yu. Makarov, Frank Blockhuys, Irina Yu. Bagryanskaya, Yuri V. Gatilov, Makhmut M. Shakirov, Andrey V. Zibarev
Pages: 3699 - 3710 - Molecular structures of tetrabromothiophene and -selenophene as determined by gas-phase electron diffraction and high-level quantum chemical calculations(2012)
Authors: Yuriy A. Zhabanov, Frank Blockhuys, Sergey A. Shlykov
Pages: 75 - 82 - Quantum chemical study of self-doping PPV oligomers(2012)
Authors: Davy Geldof, Alisa Krishtal, Frank Blockhuys, Kris Van Alsenoy
- Effects of pellet morphology and ozone-treatment on the electrical conductivity of pressed poly(3-pentylthiophene) powder(2012)
Authors: J. Nowaczyk, Frank Blockhuys, W. Czerwinski
Pages: 823 - 831 - (E)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues(2011)
Authors: Alain Collas, Frank Blockhuys
Pages: O364 - O369 - Competition between methoxy-based and pyrazine-based synthons in methoxy-substituted distyrylpyrazines(2011)
Authors: Alain Collas, Izabela Bagrowska, Krzystof Aleksandrzak, Matthias Zeller, Frank Blockhuys
Pages: 1299 - 1309