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Chemical Theory and Modelling Group
PSL University - Chimie ParisTech
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Latest Publications
Assessing the performances of different continuum solvation models
TITLE: Assessing the performances of different continuum solvation models for the calculation of hydration energies of molecules,...
Modeling UV–Vis spectra of low dimensional materials usingelectrostatic embedding: The case of CdSe
Davide Luise, Liam Wilbraham, Frédéric Labat, Ilaria Ciofini DOI: 10.1002/jcc.26534 ABSTRACT:We present a generalization of a...
Direct Synthesis of CF2H-Substituted 2-Amidofurans via Copper-Catalyzed Addition
Yongxiang Zheng, Anna Perfetto, Davide Luise, Ilaria Ciofini, and Laurence Miesch DOI: 10.1021/acs.orglett.1c01876 ABSTRACT: The...
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