Publications

20.  Mireia Via-Nadal, Mauricio Rodriguez-Mayorga, Eloy Ramos-Cordoba, and Eduard Matito, “Singling Out Weak and Strong Correlation”, Submitted, (2018).

19. Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Xabier Lopez, Miquel Sola, Jesus Ugalde, and Eduard Matito, ” The Coulomb Hole of the Ne atom”, Submitted, (2018)., arxiv[physics.chem-ph]

18. Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Mireia Via-Nadal, Mario Piris, and Eduard Matito, ” Comprehensive Benchmarking of Density Matrix Functional Approximations”, Phys. Chem. Chem. Phys., vol. 19, p. 24029, (2017). doi:10.1039/C7CP03349D

17. Eloy Ramos-Cordoba*, and Eduard Matito, “Local descriptors of dynamic and nodynamic correlation”, J. Chem. Theory Comput., vol. 13, p. 2705, (2017). doi:10.1021/acs.jctc.7b00293

16. Mauricio Rodriguez-Mayorga, Eloy Ramos-Cordoba, Ferran Feixas, and Eduard Matito, “Electron Correlation Effects In Third-Order Densities”, Phys. Chem. Chem. Phys., vol. 19, p. 4522, (2017). doi:10.1039/C6CP07616E

15. Jon Uranga, Oier Lakuntza, Eloy Ramos-Cordoba, Jon M. Matxain, and Jon I. Mujika, “Computational Study of Radical Initiated Protein Back-bone Homolytic Dissociation on All Natural Amino Acids”, Phys. Chem. Chem. Phys., vol. 18, p. 30972, (2016). DOI: 10.1039/C6CP06529E

14. Eloy Ramos-Cordoba*,  Pedro Salvador, and Eduard Matito, “Separation of Dynamic and Nondynamic Correlation”, Phys. Chem. Chem. Phys.,  vol. 18, p. 24015, (2016). doi:10.1039/C6CP03072F

13. Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba,  Pedro Salvador, Miquel Solà and Eduard Matito, “Bonding Description of the Harpoon Mechanism” Mol. Phys., vol. 114, p. 1345, (2016),  arxiv[physics.chem-ph] , doi:10.1080/00268976.2015.1121297

12. Eloy Ramos-Cordoba*, Xabier Lopez, Mario Piris and Eduard Matito, H4: a challenging system for natural orbital functional approximations, J. Chem. Phys., vol. 143, p. 164112, (2015), DOI:10.1063/1.4934799, arxiv[physics.chem-ph]

11. Eloy Ramos-Cordoba, Veronica Postils and Pedro Salvador, Oxidation states from wave function analysis, J. Chem. Theory Comput., vol. 11, p. 1501-1508, (2015), DOI:110.1021/ct501088v

10. Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, Eduard Matito “Two new stringent conditions for the cumulant matrix” J. Chem. Phys. vol. 141, p. 234101 (2014)  DOI:10.1063/1.4903449

9. Eloy Ramos-Cordoba, Pedro Salvador, “Diradical character from the local spin analysis“, Phys. Chem. Chem. Phys., vol. 16, iss. 20, p. 9565-9571, (2014) . DOI: 10.1039/C4CP00939H

8. Eloy Ramos-Cordoba, Pedro Salvador, “Characterization and Quantification of Polyradical Character“, J. Chem. Theory Comput., vol.10, iss.2, p.634-641, (2014) . DOI: 10.1021/ct401009p

7. Eloy Ramos-Cordoba, Pedro Salvador, Markus Reiher, Local Spin Analysis and Chemical Bonding, Chem. Eur. J., vol.19, iss.45, p.15267-15275, (2013) . DOI: 10.1002/chem.201300945

6. Pedro Salvador, Eloy Ramos-Cordoba, Communication: An approximation to Bader’s topological atom, J. Chem. Phys., vol.139, iss.7, p.071103, (2013) . DOI: 10.1063/1.4818751

5. Eloy Ramos-Cordoba, Pedro Salvador, Istvan Mayer, The atomic orbitals of the topological atom, J. Chem. Phys., vol.138, iss.21, p.214107, (2013) . DOI: 10.1063/1.4807775

4. Robert Ponec, Eloy Ramos-Cordoba, Pedro Salvador,Bonding Quandary in the [Cu3S2]3+ Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin, J. Phys. Chem. A, vol.117, iss.9, p.1975-1982, (2013) . DOI: 10.1021/jp309295r

3. Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, Istvan Mayer, Local spins: improved Hilbert-space analysis, Phys. Chem. Chem. Phys., vol.14, iss.44, p.15291, (2012) . DOI: 10.1039/c2cp42513k

2. Eloy Ramos-Cordoba, Eduard Matito, Istvan Mayer, Pedro Salvador, Toward a Unique Definition of the Local Spin, J. Chem. Theory Comput., vol.8, iss.4, p.1270-1279, (2012) . DOI: 10.1021/ct300050c

1. Eloy Ramos-Cordoba, Daniel S. Lambrecht, Martin Head-Gordon, Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations, Faraday Discuss., vol.150, p.345,  (2011) . DOI: 10.1039/c1fd00004g

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