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Author profile at the institutional portal

Lopez Fernandez, Rafael rafael.lopez@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

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

Molecular fingerprints based on Jacobi expansions of electron densities

  • Lopez, Rafael
  • Martinez, Frank
  • de la Vega, Jose Manuel Garcia;

Theoretical Chemistry Accounts - 1/2/2021

10.1007/s00214-020-02708-7 View at source

  • ISSN 1432881X

Computational Protocol to Evaluate Side-Chain Vicinal Spin-Spin Coupling Constants and Karplus Equation in Amino Acids: Alanine Dipeptide Model

  • San Fabián J
  • Omar S
  • García De La Vega J

Journal Of Chemical Theory And Computation (p. 4252-4263) - 9/7/2019

10.1021/acs.jctc.9b00131 View at source

  • ISSN 15499618

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

Efficient algorithm for expanding theoretical electron densities in canterakis–zernike functions

  • Urquiza-Carvalho GA
  • Rocha GB
  • López R

Journal Of Computational Chemistry (p. 2022-2032) - 15/9/2018

10.1002/jcc.25376 View at source

  • ISSN 01928651

Molecular modeling and physicochemical properties of 1-alkyl-3-methylimidazolium-FeX4and -Fe2X7(X = Cl and Br) magnetic ionic liquids

  • Lage-Estebanez I
  • Olmo L
  • Lopez R
  • García De La Vega J

Journal Of Molecular Liquids (p. 175-182) - 15/4/2018

10.1016/j.molliq.2018.02.013 View at source

  • ISSN 01677322

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

SMILES: a package for molecular calculations with STO

  • Lopez Fernandez, Rafael

Recent Advances In Quantum Chemistry, T. Ozdogan And B. Ruiz Eds. (p. 145-182) - 1/1/2008

  • 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

Molecular Integrals with Slater Functions: One-center Expansion Methods.

  • Lopez Fernandez, Rafael

Studies In Physical And Theoretical Chemistry, Elsevier, Amsterdam. (p. 241-272) - 1/1/1992

  • iMarina

Analysis of the electronic density as support of the concepts of the empirical structural chemistry.

  • Lopez Fernandez, Rafael

Molecules In Physics, Chemistry, And Biology: Electronic Structure And Chemical Reactivity (1989 Edition) (p. 31-47) - 1/1/1989

10.1007/978-94-009-2853-4 View at source

Analytical Fock Potentials

  • Lopez Fernandez, Rafael

Proceedings Of An International Conference And Workshop, Barcelona, Spain, 28 September-3 October 1981 (p. 157-165) - 1/1/1982

  • iMarina

Water soluble tooling materials for filament winding and vartm

  • Vaidyanathan R
  • Campbell J
  • Lopez R
  • Halloran J
  • Yarlagadda S
  • Gillespie JW

International Sampe Symposium And Exhibition (Proceedings) (p. 889-900) - 1/12/2005

  • ISSN 08910138
  • iMarina

A mathematical model applied for assisting the estimation of PMI in a case of forensic importance. First record of Conicera similis (Diptera: Phoridae) in a corpse

  • Lopez Fernandez, Rafael
  • Garcia de la Vega, Jose Manuel
  • Garcia-Rojo, A M
  • Martinez-Sanchez, A
  • Garcia de la Vega, J M
  • Rica, M
  • Gonzalez, M
  • Disney, R H L
... View more Collapse

Forensic Science International (p. e11-e18) - 10/9/2013

10.1016/j.forsciint.2013.05.038 View at source

  • ISSN 03790738

This researcher has no technical reports.

UPM. Empleo de líquidos iónicos como alternativa a los disolventes orgánicos en procesos y productos

  • Santiago Lorenzo, Ruben (Investigador/a)
  • Moya Alamo, Cristian (Investigador/a)
  • Lemus Torres, Jesus (Investigador/a)
  • Alvarez Montero, Mª Ariadna (Investigador/a)
  • Bedia Garcia-Matamoros, Jorge (Investigador/a)
  • Alonso Morales, Noelia (Investigador/a)
  • Gomez Sainero, Luisa Maria (Investigador/a)
  • Ferro, Victor R. (Investigador/a)
  • Palomar Herrero, José (Investigador principal (IP))
  • Lopez Fernandez, Rafael (Investigador principal (IP))
... View more Collapse

Period: 01-10-2014 - 31-12-2018

Type of funding: Regional

Amount of funding: 48300,00 Euros.

  • iMarina

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

Computational methods for the design and development of drugs against dengue fever

  • Lopez Fernandez, Rafael (Autor o Coautor)
  • Garcia de la Vega, Jose Manuel (Director) Doctorando: Barigye, Stephen Jones

19/11/2021

  • iMarina

Superficie de energía potencial y dinámica para la reacción H2CO + OH.

  • Mazo Sevillano, Pablo del
  • Roncero Villa, Octavio
  • Aguado Gómez, Alfredo
  • Alcamí Pertejo, Manuel
  • López Fernández, Rafael
  • Bañares, Luis
  • González Sánchez, María Dolores
  • Espinosa García, Joaquín
... View more Collapse

25/1/2021

  • iMarina

Estructura molecular y predicción de propiedades fisicoquímicas de líquidos iónicos

  • Calle Diez, Paloma (Autor o Coautor)
  • Hermosilla Minguez, Laura (Autor o Coautor)
  • Rafael López Fernández (Director)
  • José Manuel García de la Vega (Director)
  • Garcia de la Vega, Jose Manuel (Autor o Coautor) Doctorando: Lourdes del Olmo Morales

25/1/2016

  • iMarina

Towards modeling of ionic liqudis with density functional theory methods

  • Garcia de la Vega, Jose Manuel (Director) Doctorando: Lage Estébanez, Clara Isabel

1/1/2016

  • iMarina

Estudio teórico de las interacciones entre el óxido nítrico (NO) y moléculas de capa cerrada

  • Lopez Fernandez, Rafael (Autor o Coautor)
  • Luis Alberto Montero Cabrera (Director)
  • Montero Cabrera, Luis Alberto (Autor o Coautor)
  • José Manuel García de la Vega (Director) Doctorando: Rachel Crespo-Otero

1/1/2010

  • iMarina

Estudio teórico y por espectroscopía de resonancia paramagnética electrónica de la cinética de polimerización radical de metacrilatos

  • Hermosilla Minguez, Laura (Autor o Coautor)
  • Sieiro del Nido, Carlos (Director)
  • Calle Diez, Paloma (Director)
  • Lopez Fernandez, Rafael (Autor o Coautor) Doctorando: Hermosilla Mínguez, Laura

1/1/2008

  • 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

Sistemas acrílicos de interés biomédico. Síntesis y polimerización con activadores redox de baja toxicidad

  • Lopez Fernandez, Rafael (Autor o Coautor)
  • San Román del Barrio, Julio (Director)

1/1/1998

  • iMarina

Estudio de la estructura electrónica molecular con el formalismo de potenciales

  • Carlos Sieiro del Nido (Director)
  • Jaime Fernández Rico (Director)
  • Rafael López Fernández (Director)
  • Lopez Fernandez, Rafael (Autor o Coautor) Doctorando: César Tablero Crespo

1/1/1993

  • iMarina

Interacciones electrónicas con bases de slater

  • Lopez Fernandez, Rafael (Autor o Coautor)
  • Fernandez Rico, Jaime (Director) Doctorando: López Fernández, Rafael

1/1/1986

  • iMarina

This researcher has no patents or software licenses.

Last data update: 8/12/24 3:26 PM