JAVIER
SEGARRA MARTI
INVEST CONT RAMON Y CAJAL
Ignacio
Fernández Galván
Publicacions en què col·labora amb Ignacio Fernández Galván (7)
2023
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Characterising conical intersections in DNA/RNA nucleobases with multiconfigurational wave functions of varying active space size. Supplementary Information.
Zenodo
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Characterising conical intersections in DNA/RNA nucleobases with multiconfigurational wave functions of varying active space size. Supplementary Information.
Zenodo
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Characterising conical intersections in DNA/RNA nucleobases with multiconfigurational wave functions of varying active space size. Supplementary Information.
Zenodo
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Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size
Journal of Chemical Theory and Computation, Vol. 19, Núm. 22, pp. 8258-8272
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991
2020
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Modern quantum chemistry with [open]molcas
Journal of Chemical Physics, Vol. 152, Núm. 21
2016
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541