Feliu Maseras

Publication Activity (10 Years)

Years Active: 1995-2019
Publications (10 Years): 3

Top Topics

Computational Chemistry

Query Interface

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Jaime Rodríguez-Guerra Pedregal, Ignacio Funes-Ardoiz, Giuseppe Sciortino, José-Emilio Sánchez-Aparicio, Gregori Ujaque, Agustí Lledós, Jean-Didier Maréchal, Feliu Maseras
GARLEEK: Adding an extra flavor to ONIOM. J. Comput. Chem. 40 (2) (2019)
W. M. C. Sameera, Feliu Maseras
Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface. J. Chem. Inf. Model. 58 (9) (2018)
M. Álvarez-Moreno, Coen de Graaf, N. López, Feliu Maseras, Josep M. Poblet, Carles Bo
Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform. J. Chem. Inf. Model. 55 (1) (2015)
Fabienne Bessac, Feliu Maseras
DFT modeling of reactivity in an ionic liquid: How many ion pairs? J. Comput. Chem. 29 (6) (2008)
Jean-Didier Maréchal, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
A DFT study on the relative affinity for oxygen of the and subunits of hemoglobin. J. Comput. Chem. 27 (12) (2006)
Jean-Didier Maréchal, Guada Barea, Feliu Maseras, Agustí Lledós, Liliane Mouawad, David Pérahia
Theoretical modeling of the heme group with a hybrid QM/MM method. J. Comput. Chem. 21 (4) (2000)
Ramón Bosque, Feliu Maseras
Performance of the semiempirical PM3 (tm) method in the geometry optimization of transition metal complexes. J. Comput. Chem. 21 (7) (2000)
Feliu Maseras, Keiji Morokuma
IMOMM: A New Integrated Ab Initio + Molecular Mechanics Geometry Optimization Scheme of Equilibrium Structures and Transition States. J. Comput. Chem. 16 (9) (1995)