Ignacio Fdez. Galván
Orcid: 0000-0002-0684-7689
According to our database1,
Ignacio Fdez. Galván
authored at least 6 papers
between 2004 and 2016.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2016
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
J. Comput. Chem., 2016
2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation.
J. Comput. Chem., 2015
2008
J. Comput. Chem., 2008
2005
Framework-based design of a new all-purpose molecular simulation application: The Adun simulator.
J. Comput. Chem., 2005
2004
A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation.
J. Comput. Chem., 2004