Christian Van Alsenoy

University of Antwerp — Belgium

Physics and Astronomy · Physical Sciences

54h-index13.4kcitations477works1.02yr avg
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Research Topics

Advanced Chemical Physics Studies(146), Nonlinear Optical Materials Research(139), Synthesis and biological activity(86), Crystallography and molecular interactions(81), Molecular Spectroscopy and Structure(78)

Publications477 total

Adsorption of organic molecules on titania: The advantages of using bond orders to gauge interaction strength
Surface Science·2025· 1 cited
The linear response function as a descriptor of non-covalent interactions: hydrogen and halogen bonds
Theoretical Chemistry Accounts·2023· 8 cited
The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide
Chemistry - A European Journal·2023Open Access
Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules
Journal of Chemical Theory and Computation·2023· 16 cited
Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents
Journal of Molecular Liquids·2022· 18 cited
Empirical electronic polarizabilities for use in refractive index measurements at 589.3 nm: Hydroxyl polarizabilities
American Mineralogist·2022
Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid
Journal of Molecular Structure·2022· 12 cited
Spectroscopic characterization, docking studies and reactive properties by DFT calculations of halogen substituted 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide with MD simulations.
2022Open Access
Molecular structure, chemical reactivity and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-benzylpiperazine-1-yl)propyl]-4-azatricyclo[5.2.1.02,6] dec-8-ene-3, 5-dione
2022Open Access
CCDC 792942: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
Structural (SC-XRD), spectroscopic, DFT, MD investigations and molecular docking studies of a hydrazone derivative
Chemical Data Collections·2020· 13 cited
DFT and molecular docking studies of self-assembly of sulfone analogues and graphene
Journal of Molecular Modeling·2020· 22 cited
DFT and MD simulations and molecular docking of co-crystals of octafluoro-1,4-diiodobutane with phenazine and acridine
Structural Chemistry·2020· 8 citedOpen Access
An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
Molecules·2020· 71 citedOpen Access
Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea
Journal of Molecular Structure·2019· 66 citedOpen Access
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
Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound
Journal of Molecular Structure·2019· 99 cited
Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment
Journal of Molecular Modeling·2019· 26 cited
Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2019· 77 cited
RETRACTED: Synthesis, spectral characterisation, quantum mechanical analysis and light harvesting properties of two azoimidazole analogues
Journal of Molecular Structure·2019
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Frequent Co-authors

Y. Sheena Mary(18), C. Yohannan Panicker(9), Stevan Armaković(8), Sanja J. Armaković(8), Lothar Schäfer(7), Renjith Thomas(7), Anik Peeters(6), Paul Geerlings(5), J.N. Scarsdale(5), K.S. Resmi(5), Patrick Bultinck(4), Paul W. Ayers(3), B. Rousseau(3), Frank De Proft(3), Frank Blockhuys(3), Valentine J. Klimkowski(3), Frank A. Momany(3), B. Narayana(3), Hema Tresa Varghese(3), B.K. Sarojini(3)