Publications by authors named "Ignacio Ema"

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Reduced Serially Improved GTOs for Molecular Applications from H to Ar: Efficient Diffuse Functions in Augmented Basis Sets.
Ignacio Ema, Jesús San-Fabián, Guillermo Ramírez, Rafael López, José Manuel García de la Vega

J Phys Chem A· December 2025

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The Challenge of ab Initio Calculations in Small Neon Clusters.
Ignacio Ema, Guillermo Ramírez, Rafael López, Jesús San Fabián, José M García de la Vega

Chemphyschem· December 2023

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Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation.
Jesús San Fabián, Ignacio Ema, Salama Omar, Jose Manuel García de la Vega

J Chem Inf Model· December 2021

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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 F Rico, Ignacio Ema

J Comput Chem· December 2015

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Improved partition-expansion of two-center distributions involving Slater functions.
Rafael López, Guillermo Ramírez, Ignacio Ema, Jaime Fernández Rico

J Comput Chem· August 2013

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Chemical Notions from the Electron Density.
Jaime Fernández Rico, Rafael López, Ignacio Ema, Guillermo Ramírez

J Chem Theory Comput· November 2005

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