Yves Joly

X-ray absorption near-edge structure calculations beyond the muffin-tin approximation

Yves Joly · Physical review. B, Condensed matter · 2001 · 904 citations

Natural Sciences, Chemistry, Computational Chemistry +12

Self-consistent aspects of x-ray absorption calculations

O. Bunău, Yves Joly · Journal of Physics Condensed Matter · 2009 · 652 citations · Full text

Natural Sciences, Materials Science, Physics +15

The role of the 5f valence orbitals of early actinides in chemical bonding

Tonya Vitova, Ivan Pidchenko, David Fellhauer et al. · Nature Communications · 2017 · 217 citations · Full text

Natural Sciences, Chemistry, Inorganic Chemistry +12

Optimized Finite Difference Method for the Full-Potential XANES Simulations: Application to Molecular Adsorption Geometries in MOFs and Metal–Ligand Intersystem Crossing Transients

Alexander A. Guda, Mikhail A. Soldatov, Kirill A. Lomachenko et al. · Journal of Chemical Theory and Computation · 2015 · 209 citations · Full text

Natural Sciences, Chemistry, Physics +17

Electron Population Analysis by Full-Potential X-Ray Absorption Simulations

Yves Joly, Delphine Cabaret, H. Renevier et al. · Physical Review Letters · 1999 · 195 citations

Natural Sciences, Chemistry, Materials Science +16