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Maria Fumanal
ORCID
Publication Activity (10 Years)
Years Active: 2016-2019
Publications (10 Years): 4
Top Topics
Low Density
Critical Points
Genetic Algorithm
Relational Databases
Top Venues
J. Comput. Chem.
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Publications
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Maria Fumanal
,
Yu Harabuchi
,
Etienne Gindensperger
,
Satoshi Maeda
,
Chantal Daniel
Excited-State Reactivity of [Mn(im)(CO)3(phen)]+: A Structural Exploration.
J. Comput. Chem.
40 (1) (2019)
Aymerick Batlogg
,
Maria Fumanal
Computational Assessment of MLCT versus MC Stabilities in First-to-Third-Row d6 Pseudo-Octahedral Transition Metal Complexes.
J. Comput. Chem.
40 (27) (2019)
Sergi Vela
,
Maria Fumanal
,
Jordi Ribas-Ariño
,
Vincent Robert
On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds.
J. Comput. Chem.
37 (10) (2016)
Maria Fumanal
,
Chantal Daniel
including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach.
J. Comput. Chem.
37 (27) (2016)