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Author

  • Jean-Marie ANDRE
2011

Absorption Spectra of Azobenzenes Simulated with Time-Dependent Density Functional Theory

Jacquemin, D., Preat, J., Perpete, E., Vercauteren, D. P., André, J-M., Ciofini, I. & Adamo, C., 2011, In : International Journal of Quantum Chemistry. 111, p. 4224-4240 17 p.

Research output: Contribution to journalArticle

2012

Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium-enamine conversion in a proline-catalyzed reaction

Hubin, P. O., Jacquemin, D., Leherte, L., André, J. M., van Duin, A. C. T. & Vercauteren, D. P., 9 Aug 2012, In : Theoretical Chemistry Accounts. 131, 8, p. 1-11 11 p.

Research output: Contribution to journalArticle

Quantum chemistry, band structures and polymers

André, J. M., 1 Jan 2012, Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, International Congress TACC-2012. American institute of physics, Vol. 1456. p. 109-113 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

2016

An Introduction to the Electronic Structure of π-Conjugated Molecules and Polymers, and to the Concept of Electronic Bands

Brédas, J. L., Marder, S. R. & André, J. M., 1 Aug 2016, Basic Concepts. World Scientific Publishing Co Pte Ltd, Vol. 1. p. 1-18 18 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingForeword/postscript