Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework
Matteo De Santis, Sergio Rampino, Harry M Quiney, Leonardo Belpassi, Loriano Storchi
Journal of Chemical Theory and Computation | AMER CHEMICAL SOC | Published : 2018
Awarded by Italian MIUR through the FIRB-futuro-in-ricerca project
This work has been supported by the Italian MIUR through the FIRB-futuro-in-ricerca project RBFR1022UQ. Consortium for Computational Molecular and Material Sciences [(CMS)<SUP>2</SUP>] c/o Department of Chemistry, Biology and Biotechnology of University of Perugia is also acknowledged. The authors are grateful to Professor Francesco Tarantelli for reading of the manuscript.