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2020

Dynamic Structural Effects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin A

Seibert, J., Champagne, B., Grimme, S. & De Wergifosse, M., 2 Apr 2020, In : Journal of physical chemistry B. 124, 13, p. 2568-2578 11 p.

Research output: Contribution to journalArticle

2019

Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative

PIELAK, K., Bondu, F., Sanguinet, L., Rodriguez, V., Castet, F. & Champagne, B., 1 Jan 2019, In : Dyes and pigments. 160, p. 641-646 6 p.

Research output: Contribution to journalArticle

A coloring tool for spiropyrans: Solid state metal-organic complexation: Versus salification

Seiler, V. K., Robeyns, K., Tumanov, N., Cinčić, D., Wouters, J., Champagne, B. & Leyssens, T., 10 Jul 2019, In : CrystEngComm. 21, 33, p. 4925-4933 9 p.

Research output: Contribution to journalArticle

All-polymer solar cells based on photostable bis(perylene diimide) acceptor polymers

Lenaerts, R., Cardeynaels, T., Sudakov, I., Kesters, J., Verstappen, P., Manca, J., Champagne, B., Lutsen, L., Vanderzande, D., Vandewal, K., Goovaerts, E. & Maes, W., 1 Jul 2019, In : Solar Energy Materials and Solar Cells. 196, p. 178-184 7 p.

Research output: Contribution to journalArticle

Open Access

Fingerprint of Aromaticity and Molecular Topology on the Photophysical Properties of Octaphyrins

Woller, T., Geerlings, P., Proft, F. D., Champagne, B. & Alonso, M., 28 Mar 2019, In : Journal of Physical Chemistry C. 123, 12, p. 7318-7335 18 p.

Research output: Contribution to journalArticle

First Principles Investigation of the Polarisability and First Hyperpolarizability of Anhydride Derivatives

Champagne, B. & Hadji, D., 2019, In : Chemistry Africa . 2, p. 443-453 11 p.

Research output: Contribution to journalArticle

Open Access

Magnetically-induced current density investigation in carbohelicenes and azahelicenes

Cherni, E., Champagne, B., Ayadi, S. & Liégeois, V., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 27, p. 14678-14691 14 p.

Research output: Contribution to journalArticle

New Insights into Photochromic Properties of N-Salicylideneaniline Derivatives Using a Cocrystal Engineering Approach

Mercier, G. M., Robeyns, K., Tumanov, N., Champagne, B., Wouters, J. & Leyssens, T., 2 Oct 2019, In : Crystal Growth & Design. 19, 10, p. 5544-5556 13 p.

Research output: Contribution to journalArticle

Open Access

Nonlinear Optical Contrast in Azobenzene-Based Self-assembled Monolayers

Tonnelé, C., Champagne, B., Muccioli, L. & Castet, F., 10 Sep 2019, In : Chemistry of Materials. 31, 17, p. 6759-6769 11 p.

Research output: Contribution to journalArticle

Open Access

Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch

Quertinmont, J., Leyssens, T., Wouters, J. & Champagne, B., 2 Oct 2019, ChemPhysChem, 20, 19, p. 2434-2442 1 p.

Research output: Contribution to specialist publicationArticle

Open Access
Open Access

Synthesis and switching properties of new derivatives of azoresveratrol

Berthet, J., Agouridas, L., Chen, S., Allouchi, H., Melnyk, P., Champagne, B. & Delbaere, S., 1 Dec 2019, In : Dyes and pigments. 171, 9 p., 107666.

Research output: Contribution to journalArticle

Theoretical Assessment of the Second-Order Nonlinear Optical Responses of Lindqvist-Type Organoimido Polyoxometalates

Rtibi, E., Abderrabba, M., Ayadi, S. & Champagne, B., 19 Aug 2019, In : Inorganic Chemistry. 58, 16, p. 11210-11219 10 p.

Research output: Contribution to journalArticle

2018

Acidochromic spiropyran-merocyanine stabilisation in the solid state

Seiler, V. K., Callebaut, K., Robeyns, K., Tumanov, N., Wouters, J., Champagne, B. & Leyssens, T., 1 Jan 2018, In : CrystEngComm. 20, 24, p. 3318-3327 10 p.

Research output: Contribution to journalArticle

Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids

Woller, T., Geerlings, P., De Proft, F., Champagne, B. & Alonso, M., 1 Jan 2018, In : Molecules. 23, 6, p. 1333 28 p., 1333.

Research output: Contribution to journalArticle

Open Access
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Assessing the Structure of Octastate Molecular Switches Using 1H NMR Density Functional Theory Calculations

Hadj Mohamed, S., Quertinmont, J., Delbaere, S., Sanguinet, L. & Champagne, B., 25 Jan 2018, In : The Journal of Physical Chemistry C. 122, 3, p. 1800-1808 9 p.

Research output: Contribution to journalArticle

Open Access

Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

Pielak, K., Tonnelé, C., Sanguinet, L., Cariati, E., Righetto, S., Muccioli, L., Castet, F. & Champagne, B., 15 Nov 2018, In : Journal of Physical Chemistry C. 122, 45, p. 26160-26168 9 p.

Research output: Contribution to journalArticle

Open Access
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Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Nagami, T., Fujiyoshi, J. Y., Tonami, T., Watanabe, K. I., Yamane, M., Okada, K., Kishi, R., Nakano, M., Champagne, B. & Liégeois, V., 12 Sep 2018, In : Chemistry - A European Journal. 24, 51, p. 13457-13466 10 p.

Research output: Contribution to journalArticle

Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)

Adjieufack, A. I., Liégeois, V., Mbouombouo Ndassa, I., Ketcha Mbadcam, J. & Champagne, B., 20 Sep 2018, In : Journal of physical chemistry A. 122, 37, p. 7472-7481 10 p.

Research output: Contribution to journalArticle

Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study

Louant, O., Champagne, B. & Liégeois, V., 1 Feb 2018, In : Journal of physical chemistry A. 122, 4, p. 972-984 13 p., DOI: 10.1021/acs.jpca.7b10881.

Research output: Contribution to journalArticle

Open Access
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Nonlinear Optical Responses of Self-Assembled Monolayers Fonctionalized with Indolino-Oxazolidine Photoswitches

Tonnelé, C., Pielak, K., Deviers, J., Muccioli, L., Champagne, B. & Castet, F., 2018, In : Physical chemistry chemical physics : PCCP. 20

Research output: Contribution to journalArticle

Nonlinear optical responses of self-Assembled monolayers functionalized with indolino-oxazolidine photoswitches

Tonnelé, C., Pielak, K., Deviers, J., Muccioli, L., Champagne, B. & Castet, F., 1 Jan 2018, In : Physical Chemistry Chemical Physics. 20, 33, p. 21590-21597 8 p.

Research output: Contribution to journalArticle

ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins

De Wergifosse, M., Botek, E., De Meulenaere, E., Clays, K. & Champagne, B., 17 May 2018, In : Journal of physical chemistry A. 122, 19, p. 4993-5005 13 p.

Research output: Contribution to journalArticle

Open Access
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Second-order nonlinear optical properties of Stenhouse photoswitches: Insights from density functional theory

Tonnelé, C., Champagne, B., Muccioli, L. & Castet, F., 1 Jan 2018, In : Physical Chemistry Chemical Physics. 20, 43, p. 27658-27667 10 p.

Research output: Contribution to journalArticle

The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQxff Low Bandgap Polymers

Pirotte, G., Kesters, J., Cardeynaels, T., Verstappen, P., Lutsen, L., Champagne, B., Vanderzande, D. & Maes, W., 1 Jul 2018, In : Macromol Rapid Communications. 39, 14, 1800086.

Research output: Contribution to journalArticle

2017
Open Access

A structural analysis of spiropyran and spirooxazine compounds and their polymorphs

Seiler, V. K., Tumanov, N., Robeyns, K., Wouters, J., Champagne, B. & Leyssens, T., 13 Mar 2017, In : Crystals. 7, 3, 84.

Research output: Contribution to journalArticle

Open Access

A theoretical study on quasi-one-dimensional open-shell singlet ladder oligomers: multi-radical nature, aromaticity and second hyperpolarizability

Fukuda, K., Fujiyoshi, J. Y., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y., Champagne, B. & Nakano, M., 1 May 2017, In : Organic Chemistry Frontiers. 4, 5, p. 779-789 11 p.

Research output: Contribution to journalArticle

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups

Tetsassi Feugmo, C. G., Liégeois, V. & Champagne, B., 9 Nov 2017, In : Physical Chemistry Chemical Physics. 19, 44, p. 29822 - 29832 11 p.

Research output: Contribution to journalArticle

Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems

Nakano, M., Fukuda, K., Ito, S., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y. & Champagne, B., 2017, In : Journal of physical chemistry A. 121, 4, p. 861-873 13 p.

Research output: Contribution to journalArticle

Electronic Band Structure of Helical Polyisocyanides

Fripiat, J. G., Champagne, B., Liégeois, V. & Harris, F. E., 19 Oct 2017, In : Journal of physical chemistry A. 121, 41, p. 7993-8002 10 p., DOI: 10.1021/acs.jpca.7b07403.

Research output: Contribution to journalArticle

Emergence of nonlinear optical activity by incorporation of a linker carrying the p-nitroaniline motif in MIL-53 frameworks

Markey, K., Krüger, M., Seidler, T., Reinsch, H., Verbiest, T., De Vos, D., Champagne, B., Stock, N. & Van Der Veen, M. A., 16 Nov 2017, In : Journal of Physical Chemistry C. 121, 45, p. 25509-25519 11 p.

Research output: Contribution to journalArticle

Faraday Effect in Stacks of Aromatic Molecules

Louant, O., Liégeois, V., Verbiest, T., Persoons, A. & Champagne, B., 20 Jul 2017, In : Journal of Physical Chemistry C. 121, 28, p. 15348-15352 5 p.

Research output: Contribution to journalArticle

How Dimerization Through a Spiro Junction Modifies the Nonlinear Optical Properties of a Push–Pull Organic Dye: Insights from Theory and Hyper-Rayleigh Scattering

Castet, F., Lerychard, T., Pielak, K., Szalóki, G., Dalinot, C., Leriche, P., Sanguinet, L., Champagne, B. & Rodriguez, V., 2017, In : ChemPhotoChem. 1, 3, p. 93-101 9 p.

Research output: Contribution to journalArticle

Second-order nonlinear optical properties of multiaddressable indolinooxazolidine derivatives: Joint Computational and hyper-Rayleigh scattering investigations

Pielak, K., Bondu, F., Sanguinet, L., Rodriguez, V., Champagne, B. & Castet, F., 3 Jan 2017, In : Journal of Physical Chemistry C. 121, 3, p. 1851-1860 10 p.

Research output: Contribution to journalArticle

Theoretical investigation of curved π-conjugated fullerene flakes: open-shell character, aromaticity, and third-order nonlinear optical property

Fukuda, K., Fujiyoshi, J. Y., Minamida, Y., Nagami, T., Matsui, H., Ito, S., Kishi, R., Kitagawa, Y., Champagne, B. & Nakano, M., 1 Apr 2017, In : Journal of Physical Organic Chemistry. 30, 4, e3581.

Research output: Contribution to journalArticle

Tuning Nonlinear Optical Properties by Altering the Diradical and Charge-Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives

Fukuda, K., Suzuki, Y., Matsui, H., Nagami, T., Kitagawa, Y., Champagne, B., Kamada, K., Yamamoto, Y. & Nakano, M., 4 Jan 2017, In : ChemPhysChem. 18, 1, p. 142-148 7 p.

Research output: Contribution to journalArticle