Klaus Doll

Publication Activity (10 Years)

Years Active: 2022-2022
Publications (10 Years): 2

Top Topics

Density Functional Theory

Transition Metal

Aqueous Solution

Sensitive Detection

Top Venues

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Fabien Pascale, Klaus Doll, Aleksander Platonenko, Michel Rérat, Roberto Dovesi
The role of spin density for understanding the superexchange mechanism in transition metal ionic compounds. The case of KMF 3 (M = Mn, Fe, Co, Ni, Cu) perovskites. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Fabien Pascale, Klaus Doll, Francesco Silvio Gentile, Roberto Dovesi
How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds. Journal of computational chemistry 44 (2) (2022)