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ORCIDFeliu Maseras
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2010 – 2019
- 2019
[j8]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): 381-386 (2019)- 2018
- [j7]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): 1828-1835 (2018) - 2015
- [j6]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): 95-103 (2015)
2000 – 2009
- 2008
- [j5]Fabienne Bessac, Feliu Maseras:
DFT modeling of reactivity in an ionic liquid: How many ion pairs? J. Comput. Chem. 29(6): 892-899 (2008) - 2006
- [j4]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): 1446-1453 (2006) - 2000
- [j3]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): 282-294 (2000) - [j2]Ramón Bosque, Feliu Maseras:
Performance of the semiempirical PM3 (tm) method in the geometry optimization of transition metal complexes. J. Comput. Chem. 21(7): 562-571 (2000)
1990 – 1999
- 1995
- [j1]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): 1170-1179 (1995)
Coauthor Index
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