Émilie Cauët

Accessing Photoredox Transformations with an Iron(III) Photosensitizer and Green Light

Akin Aydogan, Rachel E. Bangle, Alejandro Cadranel et al. · Journal of the American Chemical Society · 2021 · 132 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Structure and dynamics of the hydration shells of the Zn2+ ion from <i>ab initio</i> molecular dynamics and combined <i>ab initio</i> and classical molecular dynamics simulations

Émilie Cauët, Stuart Bogatko, John H. Weare et al. · The Journal of Chemical Physics · 2010 · 121 citations · Full text

Natural Sciences, Chemistry, Physics +17

Histidine−Aromatic Interactions in Proteins and Protein−Ligand Complexes:  Quantum Chemical Study of X-ray and Model Structures

Émilie Cauët, Marianne Rooman, René Wintjens et al. · Journal of Chemical Theory and Computation · 2005 · 117 citations

Natural Sciences, Biochemistry, Chemistry +17

Ab Initio Study of the Ionization of the DNA Bases:  Ionization Potentials and Excited States of the Cations

Émilie Cauët, D. Dehareng, Jacques Liévin · The Journal of Physical Chemistry A · 2006 · 76 citations

Natural Sciences, Chemistry, Physics +17

Probing Electron-Induced Bond Cleavage at the Single-Molecule Level Using DNA Origami Templates

Adrian Keller, Ilko Bald, Alexandru Rotaru et al. · ACS Nano · 2012 · 73 citations

Pharmacy, Biophysics, Molecular Biology +17