Ignacio Ema

According to our database, Ignacio Ema authored at least 17 papers between 1998 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems.

Anmol Kumar, Rafael López, Frank Martinez, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Sachin D. Yeole, Shridhar R. Gadre

Comput. Phys. Commun., 2022

Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer.

Ignacio Ema, Guillermo Ramírez, Rafael López, José Manuel García de la Vega

Comput., 2022

2021

Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation.

Jesús San Fabián, Ignacio Ema, Salama Omar, José Manuel García de la Vega

J. Chem. Inf. Model., 2021

2019

Efficient Evaluation of Molecular Electrostatic Potential in Large Systems.

Rafael López, Frank Martinez, Ignacio Ema, José Manuel García de la Vega, Guillermo Ramírez

Comput., 2019

2017

Topology of molecular electron density and electrostatic potential with DAMQT.

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla, Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre

Comput. Phys. Commun., 2017

2015

DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules.

Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre, Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla

J. Comput. Chem., 2015

DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in molecules.

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla

Comput. Phys. Commun., 2015

2013

Improved partition-expansion of two-center distributions involving slater functions.

Rafael López, Guillermo Ramírez, Ignacio Ema, Jaime Fernández Rico

J. Comput. Chem., 2013

2009

DAMQT: A package for the analysis of electron density in molecules.

Rafael López, Jaime Fernández Rico, Guillermo Ramírez, Ignacio Ema, David Zorrilla

Comput. Phys. Commun., 2009

2007

Generation of basis sets with high degree of fulfillment of the Hellmann-Feynman theorem.

Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez

J. Comput. Chem., 2007

2005

Translation of STO charge distributions.

Jaime Fernández Rico, Ramón López, Ignacio Ema, Guillermo Ramírez

J. Comput. Chem., 2005

2004

Analytical method for the representation of atoms-in-molecules densities.

Jaime Fernández Rico, Rafael López, Guillermo Ramírez, Ignacio Ema, E. V. Ludeña

J. Comput. Chem., 2004

Efficiency of the algorithms for the calculation of Slater molecular integrals in polyatomic molecules.

Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez

J. Comput. Chem., 2004

Electrostatic potentials and fields from density expansions of deformed atoms in molecules.

Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez

J. Comput. Chem., 2004

2003

Polarized basis sets of Slater-type orbitals: H to Ne atoms.

Ignacio Ema, J. M. García de la Vega, Guillermo Ramírez, Rafael López, Jaime Fernández Rico, H. Meissner, J. Paldus

J. Comput. Chem., 2003

2001

Correspondence between GTO and STO molecular basis sets.

Jaime Fernández Rico, Rafael López, Guillermo Ramírez, Ignacio Ema

J. Comput. Chem., 2001

1998

Reference program for molecular calculations with Slater-type orbitals.

Jaime Fernández Rico, Rafael López, A. Aguado, Ignacio Ema, Guillermo Ramírez

J. Comput. Chem., 1998