Julia Contreras-García (Julia Contreras-Garcı A, Julia Contreras-Garcia, J Contreras-García)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 28

Top Topics

Density Functional Theory

Electron Transfer

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Wilver A Muriel, Trinidad Novoa, Carlos Cárdenas, Julia Contreras-García
Introducing electron correlation in solid-state calculations for superconducting states. Faraday discussions (2024)
Daniel Joven-Sancho, Andrea Echeverri, Nathalie Saffon-Merceron, Julia Contreras-García, Noel Nebra
An Organocopper(III) Fluoride Triggering C-CF 3 Bond Formation. Angewandte Chemie (International ed. in English) 63 (11) (2024)
Trinidad Novoa, Rubén Laplaza, Francesca Peccati, Franck Fuster, Julia Contreras-García
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems. Journal of chemical information and modeling (2023)
Bruno C Landeros-Rivera, David Ramírez-Palma, Fernando Cortés-Guzmán, Paulina Maria Dominiak, Julia Contreras-García
How do density functionals affect the Hirshfeld atom refinement? Physical chemistry chemical physics : PCCP (2023)
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
Conformational preference analysis in C 2 H 6 using orbital forces and non-covalent interactions; comparison with related systems. Physical chemistry chemical physics : PCCP (2023)
Andrea Echeverri, Candice Botuha, Tatiana Gómez, Eleonora Luppi, Julia Contreras-García, Carlos Cardenas
In silico design of bio-marker detection fluorescent probes. Physical chemistry chemical physics : PCCP (2023)
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
Conformational preference analysis in C 2 H 6 using orbital forces and non-covalent interactions; comparison with related systems. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Daniel Joven-Sancho, Andrea Echeverri, Nathalie Saffon-Merceron, Julia Contreras-García, Noel Nebra
An Organocopper(III) Fluoride Triggering C-CF 3 Bond Formation. Angewandte Chemie (International ed. in English) (2023)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation (2023)
Ernesto Andrade-Collantes, Bruno C Landeros-Rivera, Yudibeth Sixto-López, Ciresthel Bello-Rios, Julia Contreras-García, José Antonio Garzón Tiznado, Abraham Pedroza-Torres, Beni Camacho-Pérez, Sarita Montaño
Molecular insight into endosulfan degradation by Ese protein from Arthrobacter: Evidence-based structural bioinformatics and quantum mechanical calculations. Proteins (2023)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation 19 (3) (2023)
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
Conformational preference analysis in C 2 H 6 using orbital forces and non-covalent interactions; comparison with related systems. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Bruno C Landeros-Rivera, Miguel Gallegos, Julen Munarriz, Rubén Laplaza, Julia Contreras-García
New venues in electron density analysis. Physical chemistry chemical physics : PCCP 24 (36) (2022)
Irene Casademont-Reig, Tatiana Woller, Victor Garcia, Julia Contreras-García, William Tiznado, Miquel Torrent-Sucarrat, Eduard Matito, Mercedes Alonso
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Rita Maji, Eleonora Luppi, Elena Degoli, Julia Contreras-García
Insight into the inclusion of heteroatom impurities in silicon structures. Physical chemistry chemical physics : PCCP 24 (25) (2022)
Francesco Belli, Trinidad Novoa, Julia Contreras-García, Ion Errea
Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors. Nature communications 12 (1) (2021)
Milagros Medina, Julia Contreras-García, Franck Fuster, François Volatron, Patrick Chaquin
The "Inverted Bonds" Revisited: Analysis of "In Silico" Models and of [1.1.1]Propellane by Using Orbital Forces. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (30) (2020)
Diana Yepes, Julen Munarriz, null Daniel l'Anson, Julia Contreras-García, Pablo Jaque
Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions. The journal of physical chemistry. A 124 (10) (2020)
Johanna Klein, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García, Jean-Philip Piquemal, Eric Hénon
New Way for Probing Bond Strength. The journal of physical chemistry. A 124 (9) (2020)
Roberto A Boto, Francesca Peccati, Milagros Medina, Chaoyu Quan, Alessandra Carbone, Jean-Philip Piquemal, Yvon Maday, Julia Contreras-García
NCIPLOT4: Fast, Robust, and Quantitative Analysis of Noncovalent Interactions. Journal of chemical theory and computation 16 (7) (2020)
Milagros Medina, Victor Polo, Julia Contreras-García
A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C Bonds. The journal of physical chemistry. A 124 (1) (2019)
Julen Munarriz, Monica Calatayud, Julia Contreras-García
Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (46) (2019)
Angel Martin Pendás, Julia Contreras-García, Fernanda Pinilla, José D Mella, Carlos Cardenas, Francisco Munoz
A chemical theory of topological insulators. Chemical communications (Cambridge, England) 55 (82) (2019)
Milagros Medina, Victor Polo, Julia Contreras-García
Localizing electron density errors in density functional theory. Physical chemistry chemical physics : PCCP 21 (37) (2019)
David Arias-Olivares, Erna K Wieduwilt, Julia Contreras-García, Alessandro Genoni
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems. Journal of chemical theory and computation 15 (11) (2019)
Corentin Lefebvre, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García, Jean-Philip Piquemal, Eric Hénon
The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (6) (2018)
Corentin Lefebvre, Gaëtan Rubez, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García, Eric Hénon
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. Physical chemistry chemical physics : PCCP 19 (27) (2017)
Julia Contreras-García, Carlos Cardenas
On understanding the chemical origin of band gaps. Journal of molecular modeling 23 (9) (2017)