Marc de Wergifosse
Rheinische Friedrich-Wilhelms-Universität Bonn
H-index: 17
Europe-Germany
Top articles of Marc de Wergifosse
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
The eXact integral simplified time-dependent density functional theory (XsTD-DFT) | Marc de Wergifosse Stefan Grimme | 2024/2/22 | |
Simplified quantum chemistry methods to evaluate non‐linear optical properties of large systems | Sarah Löffelsender Pierre Beaujean Marc de Wergifosse | 2023 | |
Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory | The Journal of Physical Chemistry A | Marc de Wergifosse Pierre Beaujean Stefan Grimme | 2022/10/6 |
Singlet fission tinkertoys based on N-heterocyclic carbenes: а study with the spin-flip simplified time-dependent density functional theory method | Gergana Kostadinova Rumen Lyapchev Joanna Stoycheva Lyuben Borislаvov Alia Tadjer | 2022/2/17 | |
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package | Evgeny Epifanovsky Andrew TB Gilbert Xintian Feng Joonho Lee Yuezhi Mao | 2021/8/28 | |
Perspective on simplified quantum chemistry methods for excited states and response properties | The Journal of Physical Chemistry A | Marc de Wergifosse Stefan Grimme | 2021/4/30 |
Outstanding Reviewers for Physical Chemistry Chemical Physics in 2020 | Phys. Chem. Chem. Phys | Angela Acocella Federico Bianchini Marc de Wergifosse David Dixon Thanh Do | 2021 |
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water | Physical Chemistry Chemical Physics | Laurie Lescos Pierre Beaujean Claire Tonnelé Philippe Aurel Mireille Blanchard-Desce | 2021 |
All-atom quantum mechanical calculation of the second-harmonic generation of fluorescent proteins | The Journal of Physical Chemistry Letters | Pierre Beaujean Benoît Champagne Stefan Grimme Marc de Wergifosse | 2021/9/30 |
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation | The Journal of Chemical Physics | Marc de Wergifosse Jakob Seibert Stefan Grimme | 2020/8/28 |
Dynamic structural effects on the second-harmonic generation of tryptophane-rich peptides and gramicidin A | The Journal of Physical Chemistry B | Jakob Seibert Benoît Champagne Stefan Grimme Marc de Wergifosse | 2020/3/9 |
A unified strategy for the chemically intuitive interpretation of molecular optical response properties | Journal of Chemical Theory and Computation | Marc de Wergifosse Stefan Grimme | 2020/11/17 |
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