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Marc de Wergifosse

3 results in Authors: Marc de Wergifosse

Physical Chemistry

Dynamic Structural Eﬀects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin A

Jakob Seibert, Benoît CHAMPAGNE, Stefan Grimme, Marc de Wergifosse

Version 1 posted 24 January 2020

526

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Theoretical and Computational Chemistry

The eXact integral simplified time-dependent density functional theory (XsTD-DFT)

Marc de Wergifosse, Stefan Grimme

Version 1 posted 22 February 2024

546

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Theoretical and Computational Chemistry

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, Marc de Wergifosse, Julia Romanova

Version 1 posted 17 February 2022

330

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