default author photo

Didier Bégué

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

4

DOWNLOADS

80

TOTAL CITATIONS

0

Scholarly Papers (4)

Actions:
Email selected abstracts
1.

Reactivity-Based Descriptors for Donor-Acceptor Efficiency in Organic Solar Cells

Number of pages: 50 Posted: 21 Feb 2025
Gabriel Gomes Baltazar Alves, Augusto Batagin-Neto and Didier Bégué
affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 32 (1,290,922)

Abstract:

Loading...

electronic-structure calculations, reactivity descriptors, non-fullerene acceptors, organic solar cells.

2.

Juxtaposing the Fourth Order Vibrational Operator Perturbation Theory Cvpt(4) and the Adaptive Vci (A-Vci): Accuracy, Vibrational Resonances and Polyads of \Ce{C2h4} and \Ce{C2d4}

Number of pages: 47 Posted: 07 May 2025
Vincent Le Bris, Sergey V. Krasnoshchekov, Egor O. Dodrolyubov, Ilya M. Efremov, Igor M. Polyakov, Olivier Coulaud and Didier Bégué
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Lomonosov Moscow State University, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 25 (1,399,036)

Abstract:

Loading...

Anharmonic molecular vibrations, Vibrational resonances, polyad quantum numbers, Operator Van Vleck perturbation theory (CVPT), Adaptive VCI method (A-VCI), Vibrational resonance

3.

Paving the Way Toward Reactive Self-Assembly-Induced Colloidal Covalent Organic Frameworks: Elaboration of Macromolecular Growth-Blocking Agents

Number of pages: 26 Posted: 26 Oct 2024
Laurent Billon, Axelle Larrieu, William Lafargue-Dit-Hauret, Pierre Marcasuzaa and Didier Bégué
Université de Pau et des Pays de l'Adour, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 14 (1,509,872)

Abstract:

Loading...

Blocking agent, grafting, Growth, Covalent Organic Frameworks, Colloids

4.

Juxtaposing the Fourth Order Vibrational Operator Perturbation Theory Cvpt(4) and the Adaptive Vci (A-Vci): Accuracy, Vibrational Resonances and Polyads of C2h4 and C2d4

Number of pages: 47 Posted: 20 May 2025
Vincent Le Bris, Sergey V. Krasnoshchekov, Egor O. Dodrolyubov, Ilya M. Efremov, Igor M. Polyakov, Olivier Coulaud and Didier Bégué
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Lomonosov Moscow State University, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 9 (1,548,648)

Abstract:

Loading...

Anharmonic molecular vibrations, Vibrational resonances, polyad quantum numbers, Operator Van Vleck perturbation theory (CVPT), Adaptive VCI method (A-VCI), Vibrational resonance