Bibilography:

Theoretical background:

1) J. Fernández Rico, R. López, G. Ramírez
Analysis of the molecular density
Journal of Chemical Physics, 110, 4213-4220, 1999

2)J. Fernández Rico, R. López, G. Ramírez, I. Ema
Density and Binding Forces in Diatomics
Journal of Chemical Physics, 116, 1788-1799, 2002

3)J. Fernández Rico, R. López, G. Ramírez, I. Ema
Analysis of the molecular density: STO densities
Journal of Chemical Physics, 117, 533-540, 2002

4)J. Fernández Rico, R. López, G. Ramírez, I. Ema, E.V. Ludeña
Analytical method for the representation of atoms-in-molecules densities
Journal of Computational Chemistry, 25, 1355-1363, 2004

5)J. Fernández Rico, R. López, I. Ema, G. Ramírez
Electrostatic potentials and fields from density expansions of deformed atoms in molecules
Journal of Computational Chemistry, 25, 1347-1354, 2004

6)J. Fernández Rico, R. López, I. Ema, G. Ramírez
Deformed atoms in molecules: Analytical Representation of Atomic Densities for Gaussian
Type Orbitals
Journal of Molecular Structure theochem, 727, 115-121, 2005
7)J. Fernández Rico, R. López, I. Ema, G. Ramírez
Chemical forces in terms of the electron density
Theoretical Chemistry Accounts, 118, 709-721, 2007

8)G. Ramírez, R. López, I. Ema, J. Fernández Rico
A note on atomic density
International Journal of Quantum Chemistry, 113, 52-55, 2013
9)J. Fernández Rico, R. López, I. Ema, G. Ramírez
Translation of real solid spherical harmonics
International Journal of Quantum Chemistry, 113, 1544-1548, 2013

10)R. López, G. Ramírez, I. Ema, J. Fernández Rico
Improved partition-expansion of two-center distributions involving Slater functions
Journal of Computational Chemistry, 34, 1800-1809, 2013

11) R. López, G. Ramírez, J.J. Fernández, I. Ema, J. Fernández Rico
Multipole moments from the partition-expansion method
Theoretical Chemistry Accounts, 132, 1406 (10pp), 2013

Programs

1)R. López, J. Fernández Rico, G. Ramírez, I. Ema, D. Zorrilla
DAMQT: A package for the analysis of electron density in molecules
Computer Physics Communications, 180, 1654-1660, 2009.

2)R. López, J. Fernández Rico, G. Ramírez, I. Ema, D. Zorrilla
DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in
molecules
Computer Physics Communications, 192, 289-294, 2015.

3)Anmol Kumar, Sachin D. Yeole, Shridhar R. Gadre, R. López, J. Fernández Rico, G.
Ramírez, I. Ema, D. 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
Journal of Computational Chemistry, 36, 2350-2359, 2015.

4)R. López, J. Fernández Rico, G. Ramírez, I. Ema, D. Zorrilla, Anmol Kumar, Sachin D.
Yeole, Shridhar R. Gadre
Topology of molecular electron density and electrostatic potential with DAMQT
Computer Physics Communications, 214, 207-215, 2017,
doi: 10.1016/j.cpc.2017.01.012.

5)Gabriel A. Urquiza-Carvalho, Gerd B. Rocha, R. López
Efficient Algorithm for Expanding Theoretical Electron Densities in Canterakis-Zernike Functions.
Journal of Computational Chemistry, 2018,
doi: 10.1002/jcc.25376.

Aplicaciones

1) V.R. Ferro, R. López, S. Omar, J.M. García de la Vega
On the molecular electron structure of three phosphinine-containing macrocycles
Journal of Computational Chemistry, 28, 958-966, 2007

2) V.R. Ferro, L.A. Poveda, R. López, J.M. García de la Vega
Molecular modelling features on the aggregation of porphyrines and subphthalocyanines
Journal of Phorphyrins and Phtalocyanines, 13, 494-508, 2009.

3) Sachin Yeole, R. López, Shridhar Gadre
Rapid topography mapping of scalar fields: Large molecular clusters
Journal of Chemical Physics, 137, 074116, 2012

4) E.W. Hernández-Rodrıguez, A.L. Montero-Alejo, R. López, E. Sánchez-García, L.A. Montero-
Cabrera, J.M. García de la Vega
Electron Density Deformations provide new Insights into the Spectral Shift of Rhodopsins
Journal of Computational Chemistry, 34, 2460-2471, 2013

5) L. del Olmo, Cercis Morera-Boado, R. López, J.M. García de la Vega
Electron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid
Journal of Molecular Modeling, 20, 2175:1-10, 2014