Marc de Wergifosse
Marc de Wergifosse
Verified email at thch.uni-bonn.de
Title
Cited by
Cited by
Year
Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems
M de Wergifosse, B Champagne
The Journal of chemical physics 134 (7), 074113, 2011
1492011
Second-order nonlinear optical properties of fluorescent proteins for second-harmonic imaging
E De Meulenaere, I Asselberghs, M de Wergifosse, E Botek, S Spaepen, ...
Journal of Materials Chemistry 19 (40), 7514-7519, 2009
432009
Evaluation of the molecular static and dynamic first hyperpolarizabilities
M de Wergifosse, V Liťgeois, B Champagne
International Journal of Quantum Chemistry, 2014
402014
Improving the second-order nonlinear optical response of fluorescent proteins: the symmetry argument
E De Meulenaere, N Nguyen Bich, M de Wergifosse, K Van Hecke, ...
Journal of the American Chemical Society 135 (10), 4061-4069, 2013
392013
Challenging Compounds for Calculating Hyperpolarizabilities: p-Quinodimethane Derivatives
M de Wergifosse, F Wautelet, B Champagne, R Kishi, K Fukuda, H Matsui, ...
The Journal of Physical Chemistry A 117 (22), 4709-4715, 2013
272013
How the second-order nonlinear optical response of the collagen triple helix appears: a theoretical investigation
M de Wergifosse, J de Ruyck, B Champagne
The Journal of Physical Chemistry C 118 (16), 8595-8602, 2014
232014
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability
M de Wergifosse, S Grimme
The Journal of Chemical Physics 149 (2), 024108, 2018
172018
Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene
M de Wergifosse, CG Elles, AI Krylov
The Journal of Chemical Physics 146 (17), 174102, 2017
172017
Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experiment
M de Wergifosse, AL Houk, AI Krylov, CG Elles
The Journal of Chemical Physics 146 (14), 144305, 2017
162017
Frequency dispersion of the first hyperpolarizabilities of reference molecules for nonlinear optics
M de Wergifosse, F Castet, B Champagne
The Journal of Chemical Physics 142 (19), 194102, 2015
162015
Nonlinear optical properties of mStrawberry and mCherry for second harmonic imaging
E De Meulenaere, M de Wergifosse, E Botek, S Spaepen, B Champagne, ...
Journal of Nonlinear Optical Physics & Materials 19 (01), 1-13, 2010
112010
Theoretical assessment of new molecules for second‐order nonlinear optics
SN Labidi, MB Kanoun, M de Wergifosse, B Champagne
International Journal of Quantum Chemistry 111 (7‐8), 1583-1595, 2011
102011
Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules
B Champagne, P Beaujean, M de Wergifosse, MH Cardenuto, V Liťgeois, ...
Frontiers of Quantum Chemistry, 117-138, 2018
92018
ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins
M de Wergifosse, E Botek, E De Meulenaere, K Clays, B Champagne
The Journal of Physical Chemistry B 122 (19), 4993-5005, 2018
82018
Theoretical study on third-order nonlinear optical property of one-dimensional cyclic thiazyl radical aggregates: Intermolecular distance, open-shell nature, and spin state†…
H Matsui, M Yamane, T Tonami, M Nakano, M de Wergifosse, T Seidler, ...
The Journal of Physical Chemistry C 122 (12), 6779-6785, 2018
72018
A Simplified Spin-Flip Time-Dependent Density Functional Theory (SF-sTD-DFT) Approach for the Electronic Excitation Spectra of Very Large Diradicals
M de Wergifosse, C Bannwarth, S Grimme
The Journal of Physical Chemistry A 123 (27), 5815-5825, 2019
6*2019
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of excited-state absorption spectra
M de Wergifosse, S Grimme
The Journal of Chemical Physics 150 (9), 094112, 2019
52019
Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivatives
M de Wergifosse, B Champagne, S Ito, K Fukuda, M Nakano
Physical Chemistry Chemical Physics 18 (9), 6420-6429, 2016
52016
Dynamic structural effects on the second-harmonic generation of tryptophane-rich peptides and gramicidin A
J Seibert, B Champagne, S Grimme, M de Wergifosse
The Journal of Physical Chemistry B 124 (13), 2568–2578, 2020
32020
Are Fully Conjugated Expanded Indenofluorenes Analogues and Diindeno [n] thiophene Derivatives Diradicals? A Simplified (Spin-Flip) Time-Dependent Density Functional Theory†…
M de Wergifosse, J Seibert, B Champagne, S Grimme
The Journal of Physical Chemistry A 123 (45), 9828-9839, 2019
22019
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