Liquid-Air Interfacial Second Harmonic Generation Responses Probed by Multiscale Molecular Modeling

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

Project: Research

Acronym	LASHG/MM
Status	Active
Effective start/end date	1/10/22 → 30/09/25

Attachment to an Research Institute in UNAMUR

NISM

3 Article
1 Poster

Modeling second harmonic generation at alcohol/air interfaces. A molecular multi-layer approach
Ramos, T. N. & Champagne, B., 15 Jun 2025, In: Journal of Molecular Liquids. 428, p. 127499 127499.
Research output: Contribution to journal › Article › peer-review
Disentangling the molecular polarizability and first hyperpolarizability of methanol–air interfaces
Ramos, T. N. & Champagne, B., 26 Feb 2024, In: PCCP : Physical Chemistry Chemical Physics. 26, 11, p. 8658-8669 12 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
Solvent effects on the second harmonic responses of donor-acceptor Stenhouse adducts: from implicit to hybrid solvation models
Dellai, A., Krismer, I., Prampolini, G., Champagne, B., Ramos, T. N. & Castet, F., 4 Dec 2024, In: PCCP : Physical Chemistry Chemical Physics. 27, 2, p. 672-686 15 p.
Research output: Contribution to journal › Article › peer-review

2 Oral presentation
1 Invited talk
1 Visiting an external academic institution

Second Harmonic Generation Responses of Liquid Water Using Sequential QM/MM: from Bulk to Interface
Ramos, T. N. (Speaker)
22 Apr 2024
Activity: Talk or presentation types › Oral presentation
Universite Bordeaux
Ramos, T. N. (Invited researcher)
22 Feb 2024
Activity: Visiting an external institution types › Visiting an external academic institution
Unraveling the Second Harmonic Generation Responses at the Liquid-Vacuum Interfaces
Ramos, T. N. (Speaker)
30 Nov 2023
Activity: Talk or presentation types › Oral presentation