Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch

Original language	English
Publication status	Published - Jul 2024
Event	Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024 - Namur, Belgium Duration: 30 Jun 2024 → 5 Jul 2024 https://chitel-2024.unamur.be/

Conference

Conference	Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024
Abbreviated title	Chitel 2024
Country/Territory	Belgium
City	Namur
Period	30/06/24 → 5/07/24
Internet address	https://chitel-2024.unamur.be/

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

• 

Research output

Research output per year 2024 2024 2024

• 1 Article

Research output per year

Research output per year

• Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch

  Deveaux, N., Ramos, T. N., Beaujean, P., Castet, F. & Champagne, B., 2024, (Accepted/In press) In: ChemPhotoChem.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  • Molecular Switches 100%
  • Quantum Chemistry 100%
  • Nonlinear Optical Response 100%
  • Spiropyran 100%
  • Dihydroazulene 100%

Projects

Projects per year 2018 2018 2022

• 1 Finished

Projects per year

• CÉCI – Consortium of high performance computing centers

  CHAMPAGNE, B. (PI), Lazzaroni, R. (PI), Geuzaine , C. (CoI), Chatelain, P. (CoI) & Knaepen, B. (CoI)

  1/01/18 → 31/12/22

  Project: Research

  • nonlinear problems 100%
  • investigations 70%
  • Density Functional Theory 64%
  • density functional method 63%
  • optical properties 53%

Equipment

• High Performance Computing Technology Platform

  Champagne, B. (Manager)

  Technological Platform High Performance Computing

  Facility/equipment: Technological Platform

  • nonlinear problems 100%
  • Hyperpolarizability 94%
  • molecules 86%
  • simulation 76%
  • investigations 63%

Cite this

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• BIBTEX
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• Vancouver

Deveaux, N. (2024). Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch. Poster session presented at Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024, Namur, Belgium.

Deveaux, Noah. / Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch. Poster session presented at Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024, Namur, Belgium.

@conference{417d2cb2ad8149cfaff0d79cd7ffcbb1,

title = "Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch",

author = "Noah Deveaux",

year = "2024",

month = jul,

language = "English",

note = "Congress of Theoretical Chemists of Latin Expression (Chimistes Th{\'e}oriciens d'Expression Latine) 2024 ; Conference date: 30-06-2024 Through 05-07-2024",

url = "https://chitel-2024.unamur.be/",

}

Deveaux, N 2024, 'Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch', Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024, Namur, Belgium, 30/06/24 - 5/07/24.

Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch. / Deveaux, Noah.
2024. Poster session presented at Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024, Namur, Belgium.

Research output: Contribution to conference › Poster

TY - CONF

T1 - Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch

AU - Deveaux, Noah

PY - 2024/7

Y1 - 2024/7

M3 - Poster

T2 - Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024

Y2 - 30 June 2024 through 5 July 2024

ER -

Deveaux N. Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch. 2024. Poster session presented at Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024, Namur, Belgium.