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Author profile at the institutional portal

Ema Lopez, Ignacio De nacho.ema@uam.es

Química física aplicada / Universidad Autónoma de Madrid

Publications

The challenge of ab initio calculations of small neon clusters

  • Ema, Ignacio
  • Ramirez, Guillermo
  • Lopez, Rafael
  • Fabian, Jesus San
  • de la Vega, Jose M Garcia

Chemphyschem (p. e202300485-e202300485) - 14/12/2023

10.1002/cphc.202300485

  • ISSN 14394235
  • iMarina

Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets

  • Pathak, S.
  • López, I.E.
  • Lee, A.J.
  • Bricker, W.P.
  • Fernández, R.L.
  • Lehtola, S.
  • Rackers, J.A.
... View more Collapse

Journal Of Chemical Physics - 7/1/2023

10.1063/5.0130668 View at source

  • ISSN 00219606

Serially improved GTOs for molecular applications (SIGMA): Basis sets from H to Ne

  • Ema Lopez, Ignacio
  • Ramirez Moreno, Guillermo
  • Lopez Fernandez, Rafael
  • Garcia de la Vega, Jose Manuel

JOURNAL OF CHEMICAL PHYSICS - 1/1/2023

10.1063/5.0150615

  • ISSN 00219606
  • iMarina

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

  • Ema I
  • Ramírez G
  • López R
  • de la Vega JMG

Computation - 1/5/2022

10.3390/computation10050065 View at source

  • ISSN 20793197

Searching conformational analysis of Asp residues through theoretical (3)J vicinal coupling constants and Karplus equations

  • Botella, Maria
  • Ema, Ignacio
  • San Fabian, Jesus
  • Garcia de la Vega, Jose Manuel;

International Journal Of Quantum Chemistry - 5/11/2022

10.1002/qua.26979 View at source

  • ISSN 1097461X

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

  • Kumar A
  • López R
  • Martínez F
  • Ramírez G
  • Ema I
  • Zorrilla D
  • Yeole SD
  • Gadre SR
... View more Collapse

Computer Physics Communications - 1/10/2022

10.1016/j.cpc.2022.108460 View at source

  • ISSN 00104655

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

  • San Fabián J
  • Ema I
  • Omar S
  • García De La Vega JM

Journal Of Chemical Information And Modeling (p. 6012-6023) - 27/12/2021

10.1021/acs.jcim.1c00773 View at source

  • ISSN 15499596

Efficient Evaluation of Molecular Electrostatic Potential in Large Systems

  • Lopez, Rafael
  • Martinez, Frank
  • Ema, Ignacio
  • Garcia de la Vega, Jose Manuel
  • Ramirez, Guillermo;

Computation (p. 1-19) - 1/1/2019

10.3390/computation7040064 View at source

  • ISSN 20793197

Topology of molecular electron density and electrostatic potential with DAMQT

  • Lopez, Rafael
  • Fernandez Rico, Jaime
  • Ramirez, Guillermo
  • Ema, Ignacio
  • Zorrilla, David
  • Kumar, Anmol
  • Yeole, Sachin D.
  • Gadre, Shridhar R.;
... View more Collapse

Computer Physics Communications (p. 207-215) - 1/5/2017

10.1016/j.cpc.2017.01.012 View at source

  • ISSN 00104655

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

  • Lopez, Rafael
  • Fernandez Rico, Jaime
  • Ramirez, Guillermo
  • Ema, Ignacio
  • Zorrilla, David;

Computer Physics Communications (p. 289-294) - 1/7/2015

10.1016/j.cpc.2015.02.027 View at source

  • ISSN 00104655

This researcher has no books.

Molecular electron density as a suport of empirical structural chemistry

  • Fernández Rico, Jaime
  • López Fernández, Rafael
  • Ema López, Ignacio de
  • Ramírez Moreno, Guillermo

Recent Advances Within The Field Of Materials Science In Spain (p. 280-280) - 1/1/2015

  • iMarina

Integrales de Repulsión Eletrónica con Funciones de Slater

  • Fernández Rico, Jaime
  • López Fernández, Rafael
  • Ramírez Moreno, Guillermo
  • Ema López, Ignacio de

Temas Actuales De Química Cuántica (p. 61-108) - 1/1/1998

  • iMarina

This researcher has no conferences.

This researcher has no working papers.

This researcher has no technical reports.

Estructura electrónica molecular: Metodología y aplicaciones.

  • Delvin Ariel Nodarse Macia (Investigador/a)
  • Ferro Fernandez, Victor Roberto (Investigador/a)
  • Gonzalez-Jonte Cruz, Raul Hermin (Investigador/a)
  • Lopez Fernandez, Rafael (Investigador/a)
  • Barros Mendes Teixeira, Osvaldo DE (Investigador/a)
  • San Fabian Maroto, Jesus (Investigador/a)
  • Fernandez Rico, Jaime (Investigador/a)
  • Ema Lopez, Ignacio DE (Investigador/a)
  • Ramirez Moreno, Guillermo (Investigador/a)
  • Garcia de la Vega, Jose Manuel (Investigador principal (IP))
... View more Collapse

Period: 01-01-2011 - 31-12-2013

  • iMarina

Empleo de líquidos iónicos como alternativa a los disolventes orgánicos en procesos avanzados de separación (liquorgpas).

  • Lopez Fernandez, Rafael (Investigador principal (IP))
  • Garcia de la Vega, Jose Manuel (Investigador/a)
  • Lage Estebanez, Clara Isabel (Investigador/a)
  • Olmo Morales, Lourdes Del (Investigador/a)
  • Ramirez Moreno, Guillermo (Investigador/a)
  • Ema Lopez, Ignacio DE (Investigador/a)
  • Alonso Morales, Noelia (Investigador/a)
  • Lemus Torres, Jesus (Investigador/a)
  • Ferro Fernandez, Victor Roberto (Investigador principal (IP))
  • Palomar Herrero, Jose Francisco (Investigador principal (IP))
... View more Collapse

Period: 01-01-2010 - 31-12-2013

  • iMarina

Estructura electrónica molécular.

  • Ferro Fernandez, Victor Roberto (Investigador/a)
  • Gonzalez-Jonte Cruz, Raul Hermin (Investigador/a)
  • Lopez Fernandez, Rafael (Investigador/a)
  • Paniagua Caparros, Miguel (Investigador/a)
  • Velilla de Andres, Luis Alejandro (Investigador/a)
  • Fernandez Rico, Jaime (Investigador/a)
  • Ema Lopez, Ignacio DE (Investigador/a)
  • Ramirez Moreno, Guillermo (Investigador/a)
  • Aguado Gomez, Alfredo (Investigador/a)
  • Garcia de la Vega, Jose Manuel (Investigador principal (IP))
... View more Collapse

Period: 10-01-2007 - 30-09-2010

  • iMarina

Estructura electrónica.

  • Velilla de Andres, Luis Alejandro (Investigador/a)
  • Ferro Fernandez, Victor Roberto (Investigador/a)
  • Lopez Fernandez, Rafael (Investigador/a)
  • Fernandez Rico, Jaime (Investigador/a)
  • Ema Lopez, Ignacio DE (Investigador/a)
  • Ramirez Moreno, Guillermo (Investigador/a)
  • Garcia de la Vega, Jose Manuel (Investigador/a)
  • Aguado Gomez, Alfredo (Investigador/a)
  • Paniagua Caparros, Miguel (Investigador principal (IP))
... View more Collapse

Period: 13-12-2004 - 12-12-2007

  • iMarina

Integrales multicéntricas con funciones B

  • Ema Lopez, Ignacio DE (Autor o Coautor)
  • Lopez Fernandez, Rafael (Director)
  • Fernandez Rico, Jaime (Director) Doctorando: Ema López, Ignacio de

7/7/1999

  • iMarina

This researcher has no patents or software licenses.

Last data update: 7/29/24 9:15 PM