Ignacio Ema

Publication Activity (10 Years)

Years Active: 1998-2022
Publications (10 Years): 5

Top Topics

Digital Libraries

Computational Modeling

Top Venues

Comput. Phys. Commun.

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Anmol Kumar, Rafael López, Frank Martinez, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Sachin D. Yeole, Shridhar R. Gadre
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems. Comput. Phys. Commun. 279 (2022)
Ignacio Ema, Guillermo Ramírez, Rafael López, José Manuel García de la Vega
Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer. Comput. 10 (5) (2022)
Jesús San Fabián, Ignacio Ema, Salama Omar, José Manuel García de la Vega
Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation. J. Chem. Inf. Model. 61 (12) (2021)
Rafael López, Frank Martinez, Ignacio Ema, José Manuel García de la Vega, Guillermo Ramírez
Efficient Evaluation of Molecular Electrostatic Potential in Large Systems. Comput. 7 (4) (2019)
Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre
Topology of molecular electron density and electrostatic potential with DAMQT. Comput. Phys. Commun. 214 (2017)
Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre, Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla
DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules. J. Comput. Chem. 36 (31) (2015)
Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla
DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in molecules. Comput. Phys. Commun. 192 (2015)
Rafael López, Guillermo Ramírez, Ignacio Ema, Jaime Fernández Rico
Improved partition-expansion of two-center distributions involving slater functions. J. Comput. Chem. 34 (21) (2013)
Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla
DAMQT: A package for the analysis of electron density in molecules. Comput. Phys. Commun. 180 (9) (2009)
Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez
Generation of basis sets with high degree of fulfillment of the Hellmann-Feynman theorem. J. Comput. Chem. 28 (4) (2007)
Jaime Fernández Rico, Ramón López, Ignacio Ema, Guillermo Ramírez
Translation of STO charge distributions. J. Comput. Chem. 26 (8) (2005)
Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez
Efficiency of the algorithms for the calculation of Slater molecular integrals in polyatomic molecules. J. Comput. Chem. 25 (16) (2004)
Jaime Fernández Rico, Rafael López, Guillermo Ramírez, Ignacio Ema, E. V. Ludeña
Analytical method for the representation of atoms-in-molecules densities. J. Comput. Chem. 25 (11) (2004)
Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez
Electrostatic potentials and fields from density expansions of deformed atoms in molecules. J. Comput. Chem. 25 (11) (2004)
Ignacio Ema, J. M. García de la Vega, Guillermo Ramírez, Rafael López, Jaime Fernández Rico, H. Meissner, J. Paldus
Polarized basis sets of Slater-type orbitals: H to Ne atoms. J. Comput. Chem. 24 (7) (2003)
Jaime Fernández Rico, Rafael López, Guillermo Ramírez, Ignacio Ema
Correspondence between GTO and STO molecular basis sets. J. Comput. Chem. 22 (14) (2001)
Jaime Fernández Rico, Rafael López, A. Aguado, Ignacio Ema, Guillermo Ramírez
Reference program for molecular calculations with Slater-type orbitals. J. Comput. Chem. 19 (11) (1998)