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Maria Fumanal

Orcid: 0000-0002-4175-8876

According to our database1, Maria Fumanal authored at least 4 papers between 2016 and 2019.

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

Timeline

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Links

On csauthors.net:

Bibliography

2019
Excited-State Reactivity of [Mn(im)(CO)3(phen)]+: A Structural Exploration.
[BibTeX]
[DOI]
Maria Fumanal
,
Yu Harabuchi
,
Etienne Gindensperger
,
Satoshi Maeda
,
Chantal Daniel
J. Comput. Chem., 2019

Computational Assessment of MLCT versus MC Stabilities in First-to-Third-Row d6 Pseudo-Octahedral Transition Metal Complexes.
[BibTeX]
[DOI]
Aymerick Batlogg
,
Maria Fumanal
J. Comput. Chem., 2019

2016
On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds.
[BibTeX]
[DOI]
Sergi Vela
,
Maria Fumanal
,
Jordi Ribas-Ariño
,
Vincent Robert
J. Comput. Chem., 2016

Description of excited states in [Re(Imidazole)(CO)<sub>3</sub>(Phen)]<sup>+</sup> including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach.
[BibTeX]
[DOI]
Maria Fumanal
,
Chantal Daniel
J. Comput. Chem., 2016


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