Frédéric Labat

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 11

Top Venues

Journal of computational chemistry

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Langmuir : the ACS journal of surfaces and colloids

Chimie ParisTech

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Chimie ParisTech Sep 01 2010

France

Assistant Professor :: IRCP

Publications

Éric Brémond, Ilaria Ciofini, Frédéric Labat, Vincent Tognetti
Preface of Carlo Adamo's virtual special issue. Journal of computational chemistry (2024)
Éric Brémond, Ilaria Ciofini, Frédéric Labat, Vincent Tognetti
Preface of Carlo Adamo's virtual special issue. Journal of computational chemistry 45 (25) (2024)
Michele Turelli, Ilaria Ciofini, Qinfan Wang, Alistar Ottochian, Frédéric Labat, Carlo Adamo
Organic compounds for solid state luminescence enhancement/aggregation induced emission: a theoretical perspective. Physical chemistry chemical physics : PCCP (2023)
Davide Luise, Massimo Christian D'Alterio, Giovanni Talarico, Ilaria Ciofini, Frédéric Labat
Modeling the spectral properties of poly(x-phenylenediamine) conducting polymers using a combined TD-DFT and electrostatic embedding approach. Journal of computational chemistry 43 (30) (2022)
Dario Vassetti, Ismail Can Oǧuz, Frédéric Labat
Generalizing Continuum Solvation in Crystal to Nonaqueous Solvents: Implementation, Parametrization, and Application to Molecules and Surfaces. Journal of chemical theory and computation 17 (10) (2021)
Davide Luise, Liam Wilbraham, Frédéric Labat, Ilaria Ciofini
Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe. Journal of computational chemistry 42 (17) (2021)
Dario Vassetti, Bartolomeo Civalleri, Frédéric Labat
Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces. Journal of computational chemistry 41 (15) (2020)
Jun Su, Tao Zhu, Thierry Pauporté, Ilaria Ciofini, Frédéric Labat
Improving the heterointerface in hybrid organic-inorganic perovskite solar cells by surface engineering: Insights from periodic hybrid density functional theory calculations. Journal of computational chemistry 41 (19) (2020)
Tao Zhu, Jun Su, Frédéric Labat, Ilaria Ciofini, Thierry Pauporté
Interfacial Engineering through Chloride-Functionalized Self-Assembled Monolayers for High-Performance Perovskite Solar Cells. ACS applied materials & interfaces 12 (1) (2019)
Alexandra Szemjonov, Thierry Pauporté, Sandrine Ithurria Ithurria, Benoit Dubertret, Ilaria Ciofini, Frédéric Labat
Combined Computational and Experimental Study of CdSeS/ZnS Nanoplatelets: Structural, Vibrational, and Electronic Aspects of Core-Shell Interface Formation. Langmuir : the ACS journal of surfaces and colloids 34 (46) (2018)
Frédéric Labat, Bartolomeo Civalleri, Roberto Dovesi
Implicit Solvation Using a Generalized Finite-Difference Approach in CRYSTAL: Implementation and Results for Molecules, Polymers, and Surfaces. Journal of chemical theory and computation 14 (11) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Frédéric Labat