Dynamical Chromophore-Ion Interactions Probed by their Nonlinear Optical Properties – a Multi-Scale Theoretical Chemistry Investigation

Ramos, Tárcius N. (PI)
Champagne, Benoit (PI)

Project: Research

Status	Finished
Effective start/end date	1/03/20 → 28/02/22

Attachment to an Research Institute in UNAMUR

NISM

3 Article

Second harmonic generation responses of ion pairs forming dimeric aggregates
Ramos, T. N., Castet, F. & Champagne, B., 8 Apr 2021, In: Journal of physical chemistry B. 125, 13, p. 3386-3397 12 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
48 Downloads (Pure)
Self-aggregation of stilbazolium ion pairs in liquid chloroform. A molecular dynamics study
Ramos, T. N., Hollóczki, O., Kirchner, B. & Champagne, B., 15 Dec 2021, In: Journal of Molecular Liquids. 344, 10 p., 117735.
Research output: Contribution to journal › Article › peer-review
Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method
Ramos, T. N., Champagne, B. & Canuto, S., 26 Oct 2020, In: Journal of chemical information and modeling. 60, 10, p. 4817-4826 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
49 Downloads (Pure)

1 Oral presentation

Second-order nonlinear optical responses of solutions of complex compounds – a multi-scale theoretical chemistry investigation
Tárcius N. Ramos (Speaker)
5 Jul 2022
Activity: Talk or presentation types › Oral presentation

High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance Computing
Facility/equipment: Technological Platform