Frank Blockhuys

University of Antwerp — Belgium

Materials Science · Physical Sciences

21h-index2.2kcitations193works0.72yr avg
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Research Topics

X-ray Diffraction in Crystallography(57), Crystallization and Solubility Studies(56), Crystallography and molecular interactions(30), Crystal structures of chemical compounds(23), Structural and Chemical Analysis of Organic and Inorganic Compounds(15)

Publications193 total

Understanding the effect of first-row transition metals on the structure and properties of cyclopentadienyl-stabilized 5-metalla-1,3,2,4-dithiadiazoles
Structural Chemistry·2025Open Access
The origin of the reduced phosphorus-carbon bond stability of α-aminoalkylphosphonic acid grafted on titania
Applied Surface Science·2025· 1 cited
Adsorption of organic molecules on titania: The advantages of using bond orders to gauge interaction strength
Surface Science·2025· 1 cited
Solid-State Structures and Properties of Lignin Hydrogenolysis Oil Compounds: Shedding a Unique Light on Lignin Valorization
International Journal of Molecular Sciences·2024· 1 citedOpen Access
Towards lignin-based polyurethanes: a computational study of the influence of the reactants structure on the formation of urethanes in the presence of tin(II) dicarboxylate as a catalyst
Molecular Catalysis·2024· 1 cited
Towards Lignin-Based Polyurethanes: A Computational Study of the Influence of the Reactants Structure on the Formation of Urethanes
SSRN Electronic Journal·2024Open Access
The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide
Chemistry - A European Journal·2023Open Access
Inducing differences in modification degree and binding mode of organophosphonic acid grafted titania by changing pH and hydrocarbon chain length
Applied Surface Science·2023· 5 citedOpen Access
Self‐Induced and Progressive Photo‐Oxidation of Organophosphonic Acid Grafted Titanium Dioxide
ChemPlusChem·2023· 4 citedOpen Access
Inducing Differences in Modification Degree and Binding Mode of Organophosphonic Acid Grafted Titania by Changing Ph and Hydrocarbon Chain Length
SSRN Electronic Journal·2023Open Access
Amino-Alkylphosphonate-Grafted TiO<sub>2</sub>: How the Alkyl Chain Length Impacts the Surface Properties and the Adsorption Efficiency for Pd
ACS Omega·2022· 9 citedOpen Access
Exploring the reactivity of aliphatic and phenolic hydroxyl groups in lignin hydrogenolysis oil towards urethane bond formation
Industrial Crops and Products·2022· 32 cited
Selective Pd recovery from acidic leachates by 3-mercaptopropylphosphonic acid grafted TiO<sub>2</sub>: does surface coverage correlate to performance?
RSC Advances·2022· 6 citedOpen Access
Experimental and computational insights into the aminopropylphosphonic acid modification of mesoporous TiO2 powder: The role of the amine functionality on the surface interaction and coordination
Applied Surface Science·2021· 18 citedOpen Access
The interaction of water with organophosphonic acid surface modified titania: An in-depth in-situ DRIFT study
Surfaces and Interfaces·2020· 11 citedOpen Access
An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
Molecules·2020· 71 citedOpen Access
Quantum chemical mass spectrometry: <i>Ab initio</i> study of b <sub>2</sub> ‐ion formation mechanisms for the singly protonated Gln‐His‐Ser tripeptide
Rapid Communications in Mass Spectrometry·2020· 6 cited
QCMS<sup>2</sup> as a new method for providing insight into peptide fragmentation: The influence of the side‐chain and inter–side‐chain interactions
Journal of Mass Spectrometry·2019· 6 citedOpen Access
Surface properties of organic crystals based on a quantum chemical treatment of crystal facets
Acta Crystallographica Section A Foundations and Advances·2019Open Access
Combining crystal engineering strategies in the search for non-centrosymmetric single-crystal structures
Acta Crystallographica Section A Foundations and Advances·2018Open Access
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Frequent Co-authors

Christian Van Alsenoy(23), Karla Tersago(12), Alexander Yu. Makarov(9), Andrey V. Zibarev(9), H. J. Geise(7), Christophe M. L. Vande Velde(7), Yu. V. Gatilov(7), Magda Claeys(6), J. Derek Woollins(6), Irina Yu. Bagryanskaya(6), Reinhilde Vermeylen(5), Willy Maenhaut(5), М. М. Шакиров(5), Vera Meynen(5), Joris Van Droogenbroeck(5), Rafał Szmigielski(4), Tadeusz E. Kleindienst(4), Michael Lewandowski(4), Peter Adriaensens(4), Jason D. Surratt(3)