关注
Marc de Wergifosse
Marc de Wergifosse
在 uclouvain.be 的电子邮件经过验证
标题
引用次数
引用次数
年份
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6992021
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), 2011
2042011
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
602013
Evaluation of the molecular static and dynamic first hyperpolarizabilities
M de Wergifosse, V Liégeois, B Champagne
International Journal of Quantum Chemistry, 2014
562014
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), 2018
522018
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
502009
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
402014
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
382017
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
322013
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation
M de Wergifosse, J Seibert, S Grimme
The Journal of Chemical Physics 153 (8), 2020
312020
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), 2019
302019
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
27*2019
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 Liégeois, ...
Frontiers of Quantum Chemistry, 117-138, 2018
262018
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), 2017
242017
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), 2015
242015
Perspective on simplified quantum chemistry methods for excited states and response properties
M de Wergifosse, S Grimme
The Journal of Physical Chemistry A 125 (18), 3841-3851, 2021
202021
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
202018
A unified strategy for the chemically intuitive interpretation of molecular optical response properties
M de Wergifosse, S Grimme
Journal of Chemical Theory and Computation 16 (12), 7709-7720, 2020
152020
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
152020
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
142010
系统目前无法执行此操作,请稍后再试。
文章 1–20