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Marc de Wergifosse
Observed names:
MARC DE WERGIFOSSE,
Marc De Wergifosse,
de Wergifosse Marc,
de Wergifosse, Marc
Institutions:
UCLouvain,
KU Leuven
Observed institutions:
University of Southern California,
University of Bonn,
University of Namur,
Namur Institute of Structured Matter,
UCLouvain,
KU Leuven
show all 6
ORCID:
0000-0002-9564-7303
Observed ORCID:
0000-0002-9564-7303
OpenAlex ID:
A5021145993
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
2021
·
Evgeny Epifanovsky
, Andrew T. B. Gilbert
, et al.
·
The Journal of Chemical Physics
·
1,333
PDF
Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems
2011
·
Marc de Wergifosse
, Benoît Champagne
·
The Journal of Chemical Physics
·
204
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability
2018
·
Marc de Wergifosse
, Stefan Grimme
·
The Journal of Chemical Physics
·
64
Improving the Second-Order Nonlinear Optical Response of Fluorescent Proteins: The Symmetry Argument
2013
·
Evelien De Meulenaere
, Ngan Nguyen Bich
, et al.
·
Journal of the American Chemical Society
·
58
Evaluation of the molecular static and dynamic first hyperpolarizabilities
2014
·
Marc de Wergifosse
, Vincent Liégeois
, et al.
·
International Journal of Quantum Chemistry
·
55
How the Second-Order Nonlinear Optical Response of the Collagen Triple Helix Appears: A Theoretical Investigation
2014
·
Marc de Wergifosse
, Jérôme de Ruyck
, et al.
·
The Journal of Physical Chemistry C
·
46
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation
2020
·
Marc de Wergifosse
, Jakob Seibert
, et al.
·
The Journal of Chemical Physics
·
43
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of excited-state absorption spectra
2019
·
Marc de Wergifosse
, Stefan Grimme
·
The Journal of Chemical Physics
·
43
Two-photon absorption spectroscopy of trans -stilbene, cis -stilbene, and phenanthrene: Theory and experiment
2017
·
Marc de Wergifosse
, Amanda L. Houk
, et al.
·
The Journal of Chemical Physics
·
43
Second-order nonlinear optical properties of fluorescent proteins for second-harmonic imaging
2009
·
Evelien De Meulenaere
, Inge Asselberghs
, et al.
·
Journal of Materials Chemistry
·
41
Perspective on Simplified Quantum Chemistry Methods for Excited States and Response Properties
2021
·
Marc de Wergifosse
, Stefan Grimme
·
The Journal of Physical Chemistry A
·
35
A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals
2019
·
Marc de Wergifosse
, Christoph Bannwarth
, et al.
·
The Journal of Physical Chemistry A
·
31
Challenging Compounds for Calculating Hyperpolarizabilities:p-Quinodimethane Derivatives
2013
·
Marc de Wergifosse
, Frédéric Wautelet
, et al.
·
The Journal of Physical Chemistry A
·
29
The eXact integral simplified time-dependent density functional theory (XsTD-DFT)
2024
·
Marc de Wergifosse
, Stefan Grimme
·
The Journal of Chemical Physics
·
28
PDF
Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene
2017
·
Marc de Wergifosse
, Christopher G. Elles
, et al.
·
The Journal of Chemical Physics
·
26
Frequency dispersion of the first hyperpolarizabilities of reference molecules for nonlinear optics
2015
·
Marc de Wergifosse
, Frédéric Castet
, et al.
·
The Journal of Chemical Physics
·
23
Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory
2022
·
Marc de Wergifosse
, Pierre Beaujean
, et al.
·
The Journal of Physical Chemistry A
·
22
ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins
2018
·
Marc de Wergifosse
, Edith Botek
, et al.
·
The Journal of Physical Chemistry B
·
22
Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules
2017
·
Benoît Champagne
, Pierre Beaujean
, et al.
·
Springer eBooks
·
22
PDF
Dynamic Structural Effects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin A
2020
·
Jakob Seibert
, Benoît Champagne
, et al.
·
The Journal of Physical Chemistry B
·
20
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water
2021
·
Laurie Lescos
, Pierre Beaujean
, et al.
·
Physical Chemistry Chemical Physics
·
18
PDF
A Unified Strategy for the Chemically Intuitive Interpretation of Molecular Optical Response Properties
2020
·
Marc de Wergifosse
, Stefan Grimme
·
Journal of Chemical Theory and Computation
·
18
Theoretical assessment of new molecules for second‐order nonlinear optics
2010
·
Sofiane Nouar Labidi
, Mohammed Benali Kanoun
, et al.
·
International Journal of Quantum Chemistry
·
18
Simplified quantum chemistry methods to evaluate non‐linear optical properties of large systems
2023
·
Sarah Löffelsender
, Pierre Beaujean
, et al.
·
Wiley Interdisciplinary Reviews Computational Molecular Science
·
17
PDF
All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins
2021
·
Pierre Beaujean
, Benoît Champagne
, et al.
·
The Journal of Physical Chemistry Letters
·
14
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Works count:
56
Citation count:
2,363
H-index:
20
I10-index:
29
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