Generalizing Continuum Solvation in Crystal to Nonaqueous Solvents: Implementation, Parametrization AUTHORS: Dario Vassetti, Ismail Can Oguz, Frédéric Labat DOI: 10.1021/acs.jctc.1c00611 Journal: Journal of Chemical Theory and...
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 CdSeDavide 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...