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List of works by 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

scientific article published on 25 March 2020

Assessing modern GGA functionals for solids ⬇️

scientific article published on November 8, 2012

Generalizing Continuum Solvation in Crystal to Nonaqueous Solvents: Implementation, Parametrization, and Application to Molecules and Surfaces

scientific article published on 07 September 2021

Implicit solvation using a generalized finite-difference approach in CRYSTAL: implementation and results for molecules, polymers and surfaces

scientific article published on 01 November 2018

Improving the heterointerface in hybrid organic-inorganic perovskite solar cells by surface engineering: Insights from periodic hybrid density functional theory calculations

scientific article published on 30 April 2020

Interfacial Engineering through Chloride-Functionalized Self-Assembled Monolayers for High-Performance Perovskite Solar Cells

scientific article published on 20 December 2019

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