Marc de Wergifosse

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 13

Top Topics

Density Functional Theory

Diffusion Weighted Imaging

Top Venues

The Journal of chemical physics

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Marc de Wergifosse, Pierre Beaujean, Stefan Grimme
Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory. The journal of physical chemistry. A 126 (41) (2022)
Pierre Beaujean, Benoît Champagne, Stefan Grimme, Marc de Wergifosse
All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins. The journal of physical chemistry letters 12 (39) (2021)
Marc de Wergifosse, Stefan Grimme
Perspective on Simplified Quantum Chemistry Methods for Excited States and Response Properties. The journal of physical chemistry. A 125 (18) (2021)
Laurie Lescos, Pierre Beaujean, Claire Tonnelé, Philippe Aurel, Mireille Blanchard-Desce, Vincent Rodriguez, Marc de Wergifosse, Benoît Champagne, Luca Muccioli, Frédéric Castet
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water. Physical chemistry chemical physics : PCCP 23 (41) (2021)
Marc de Wergifosse, Stefan Grimme
A Unified Strategy for the Chemically Intuitive Interpretation of Molecular Optical Response Properties. Journal of chemical theory and computation 16 (12) (2020)
Marc de Wergifosse, Jakob Seibert, Stefan Grimme
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation. The Journal of chemical physics 153 (8) (2020)
Jakob Seibert, Benoît Champagne, Stefan Grimme, Marc de Wergifosse
Dynamic Structural Effects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin A. The journal of physical chemistry. B 124 (13) (2020)
Marc de Wergifosse, Jakob Seibert, Benoît Champagne, Stefan Grimme
Are Fully Conjugated Expanded Indenofluorenes Analogues and Diindeno[n]thiophene Derivatives Diradicals? A Simplified (Spin-Flip) Time-Dependent Density Functional Theory [(SF-)sTD-DFT] Study. The journal of physical chemistry. A 123 (45) (2019)
Marc de Wergifosse, Stefan Grimme
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of excited-state absorption spectra. The Journal of chemical physics 150 (9) (2019)
Marc de Wergifosse, Christoph Bannwarth, Stefan Grimme
A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals. The journal of physical chemistry. A 123 (27) (2019)
Marc de Wergifosse, Christopher G Elles, Anna I Krylov
Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene. The Journal of chemical physics 146 (17) (2018)
Marc de Wergifosse, Amanda L Houk, Anna I Krylov, Christopher G Elles
Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experiment. The Journal of chemical physics 146 (14) (2018)
Marc de Wergifosse, Stefan Grimme
Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability. The Journal of chemical physics 149 (2) (2018)