Julia Contreras-Garcia, Ph.D.
Affiliations: | Chemistry | Université Pierre et Marie Curie, Paris, Île-de-France, France |
Area:
Theoretical ChemistryWebsite:
http://www.lct.jussieu.fr/pagesperso/contreraGoogle:
"Julia Contreras-Garcia"Mean distance: 9.33 | S | N | B | C | P |
Parents
Sign in to add mentor| José Manuel Recio Muñiz | grad student | 2008 | University of Oviedo | |
| (Chemical bonding in crystalline solids. Implementation and development of the topological analysis of elf in the solid state) | ||||
| Weitao Yang | post-doc | 2009-2011 | Duke | |
| Andréas Savin | post-doc | 2011-2012 | Université Pierre et Marie Curie | |
Children
Sign in to add trainee| Roberto A. Boto | grad student | 2013-2016 | CNRS - Université Pierre et Marie Curie |
BETA: Related publications
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Publications
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| Novoa T, Laplaza R, Peccati F, et al. (2023) The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems. Journal of Chemical Information and Modeling. 63: 4483-4489 |
| Novoa T, Contreras-García J, Chaquin P. (2023) Conformational preference analysis in CH using orbital forces and non-covalent interactions; comparison with related systems. Physical Chemistry Chemical Physics : Pccp. 25: 4276-4283 |
| Wieduwilt EK, Boto RA, Macetti G, et al. (2023) Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of Chemical Theory and Computation |
| Landeros-Rivera B, Ramírez-Palma D, Cortés-Guzmán F, et al. (2023) How do density functionals affect the Hirshfeld atom refinement? Physical Chemistry Chemical Physics : Pccp |
| Munárriz J, Gallegos M, Contreras-García J, et al. (2021) Energetics of Electron Pairs in Electrophilic Aromatic Substitutions. Molecules (Basel, Switzerland). 26 |
| Laplaza R, Cárdenas C, Chaquin P, et al. (2020) Orbital energies and nuclear forces in DFT: Interpretation and validation. Journal of Computational Chemistry |
| Laplaza R, Boto RA, Contreras-García J, et al. (2020) Steric clash in real space: biphenyl revisited. Physical Chemistry Chemical Physics : Pccp |
| Sans JA, Vilaplana R, da Silva EL, et al. (2020) Characterization and Decomposition of the Natural van der Waals SnSbTe under Compression. Inorganic Chemistry |
| Boto RÁ, Peccati F, Laplaza R, et al. (2020) NCIPLOT4: fast, robust and quantitative analysis of noncovalent interactions. Journal of Chemical Theory and Computation |
| Yepes D, Munarriz J, l'Anson D, et al. (2020) Real Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multi-Bond Chemical Reactions. The Journal of Physical Chemistry. A |