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Klaus Doll

Orcid: 0000-0002-4701-6654

According to our database1, Klaus Doll authored at least 3 papers between 2011 and 2024.

Collaborative distances:
  • Dijkstra number2 of six.
  • Erdős number3 of five.

Timeline

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Links

On csauthors.net:

Bibliography

2024
Band gap, Jahn-Teller deformation, octahedra rotation in transition metal perovskites LaTiO 3.
[BibTeX]
[DOI]
Fabien Pascale
,
Saber Gueddida
,
Klaus Doll
,
Roberto Dovesi
J. Comput. Chem., April, 2024

2023
How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds.
[BibTeX]
[DOI]
Fabien Pascale
,
Klaus Doll
,
Francesco Silvio Gentile
,
Roberto Dovesi
J. Comput. Chem., January, 2023

2011
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg<sub>2</sub>SiO<sub>4</sub>.
[BibTeX]
[DOI]
Marco De La Pierre
,
Roberto Orlando
,
Lorenzo Maschio
,
Klaus Doll
,
Piero Ugliengo
,
Roberto Dovesi
J. Comput. Chem., 2011


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