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Alejandro Gaita-Ariño

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Journal Articles

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2016
[j3]
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  - journals/jcc/Cardona-SerraEB16
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Salvador Cardona-Serra, Luis Escalera-Moreno, José J. Baldoví, Alejandro Gaita-Ariño, Juan M. Clemente-Juan, Eugenio Coronado:
SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence. J. Comput. Chem. 37(13): 1238-1244 (2016)
2014
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José J. Baldoví, Juan M. Clemente-Juan, Eugenio Coronado, Alejandro Gaita-Ariño, Andrew V. Palii:
An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters. J. Comput. Chem. 35(26): 1930-1934 (2014)
2013
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José J. Baldoví, Salvador Cardona-Serra, Juan M. Clemente-Juan, Eugenio Coronado, Alejandro Gaita-Ariño, Andrew V. Palii:
SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions. J. Comput. Chem. 34(22): 1961-1967 (2013)

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