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J

Julia Contreras‐García

Sorbonne Université and CNRS

39H指数
276论文数
2.2W被引数
收录论文 73
发表时间
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Noncovalent Interactions in Solvated Proteins and Protein Crystals Studied with the Fragment Molecular Orbital Method
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-27
err0
PREAI
errDmitri G. Fedorov; Katarzyna J. Zator; Julia Contreras-García; Seiji Mori
err分享
err收藏
Energy and Real Space Characteristics of Non-Covalent Interactions Across the Periodic Table非共价相互作用在整个周期表中的能量和实空间特性
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-12-05
err0
errOAAI
errDesmedt, Eline; Zator, Katarzyna; Woller, Tatiana; Boto, Roberto A.; Alonso, Mercedes; Contreras-garcia, Julia
err分享
err收藏
An initiative towards better representation in high-pressure research一项旨在提高高压研究领域代表性的倡议
errNature Physics
IF18.4
err2025-10-29
err0
PREAI
errMiriam Peña‐Alvarez; Julia Contreras-García
err分享
err收藏
Resolving Molecular Interactions in Protein Folding Trajectories with NCIPLOT使用NCIPLOT解析蛋白质折叠轨迹中的分子相互作用
errJournal of Chemical Information and Modeling
IF5.3
err2025-09-16
err0
errOAAI
errAsier Urriolabeitia; Julia Contreras-García; David De Sancho; Xabier López
err分享
err收藏
Effective Oxidation State Analysis for Solids固体的高效氧化态分析
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-03
err0
PREAI
errGerard Comas-Vilà; Leila Pujal; Alberto Otero-de-la-Roza; Davide Tiana; Julia Contreras-Garcia; Pedro Salvador
err分享
err收藏
Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-19
err0
PREAI
errFedorov, Dmitri G.; Inostroza, Diego; Courbiere, Bastien; Guegan, Frederic; Contreras-Garcia, Julia; Mori, Seiji
err分享
err收藏
Perylene-derivative singlet exciton fission in water solution (vol 15, pg 17831, 2024)
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errMagne, Chloe; Streckaite, Simona; Boto, Roberto A.; Dominguez-Ojeda, Eduardo; Gromova, Marina; Echeverri, Andrea; Brigiano, Flavio Siro; Ha-Thi, Minh-Huong; Franckevicius, Marius; Jasinskas, Vidmantas; Quaranta, Annamaria; Pascal, Andrew A.; Koepf, Matthieu; Casanova, David; Pino, Thomas; Robert, Bruno; Contreras-Garcia, Julia; Finkelstein-Shapiro, Daniel; Gulbinas, Vidmantas; Llansola-Portoles, Manuel J.
err分享
err收藏
Structural transitions at the bilayer graphene-methanol interface from ab initio molecular dynamics从第一性原理分子动力学模拟得到的双层石墨烯-甲醇界面处的结构转变
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errBrigiano, Flavio Siro; Thevenet, Thomas; Markovits, Alexis; Contreras-Garcia, Julia; Miguel, Alfonso San; Pietrucci, Fabio
err分享
err收藏
TcESTIME: predicting high-temperature hydrogen-based superconductors
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errNovoa, Trinidad; di Mauro, Matias E.; Inostroza, Diego; El Haloui, Kaoutar; Sisourat, Nicolas; Maday, Yvon; Contreras-Garcia, Julia
err分享
err收藏
Molecularity: A fast and efficient criterion for probing superconductivity
errPHYSICAL REVIEW B
IF3.7
err2024-11-19
err0
errOAAI
errdi Mauro, Matias E.; Braida, Benoit; Errea, Ion; Novoa, Trinidad; Contreras-Garcia, Julia
err分享
err收藏
An Organocopper(III) Fluoride Triggering C-CF3 Bond Formation触发C-CF3键形成的有机铁 (III) 氟化物
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-01-22
err8
errOAAI
errJoven-Sancho, Daniel; Echeverri, Andrea; Saffon-Merceron, Nathalie; Contreras-Garcia, Julia; Nebra, Noel
err分享
err收藏
Introducing electron correlation in solid-state calculations for superconducting states
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err2
errOAAI
errMuriel, Wilver A.; Novoa, Trinidad; Cardenas, Carlos; Contreras-Garcia, Julia
err分享
err收藏
Perylene-derivative singlet exciton fission in water solution
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errMagne, Chloe; Streckaite, Simona; Boto, Roberto A.; Dominguez-Ojeda, Eduardo; Gromova, Marina; Echeverri, Andrea; Brigiano, Flavio Siro; Ha-Thi, Minh-Huong; Fanckevicius, Marius; Jasinskas, Vidmantas; Quaranta, Annamaria; Pascal, Andrew A.; Koepf, Matthieu; Casanova, David; Pino, Thomas; Robert, Bruno; Contreras-Garcia, Julia; Finkelstein-Shapiro, Daniel; Gulbinas, Vidmantas; Llansola-Portoles, Manuel J.
err分享
err收藏
Molecular insight into endosulfan degradation by Ese protein from Arthrobacter: Evidence-based structural bioinformatics and quantum mechanical calculations
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2023-10-20
err0
errOAAI
errAndrade-Collantes, Ernesto; Landeros-Rivera, Bruno; Sixto-Lopez, Yudibeth; Bello-Rios, Ciresthel; Contreras-Garcia, Julia; Tiznado, Jose Antonio Garzon; Pedroza-Torres, Abraham; Camacho-Perez, Beni; Montano, Sarita
err分享
err收藏
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-04
err6
PREAI
errNovoa, Trinidad; Laplaza, Ruben; Peccati, Francesca; Fuster, Franck; Contreras-Garcia, Julia
err分享
err收藏
3-Hydroxypyridinyl-Substituted-1,2,4-Triazoles as New ESIPT Based Fluorescent Dyes: Synthesis and Structure-Fluorescence Properties Correlations
errADVANCED OPTICAL MATERIALS
IF7.2
err2023-04-20
err6
errOAAI
errNina-Diogo, Anthony; Bertrand, Benoit; Thorimbert, Serge; Gontard, Geoffrey; Nassem-Kahn, Sehr; Echeverri, Andrea; Contreras-Garcia, Julia; Allain, Clemence; Lemercier, Gilles; Luppi, Eleonora; Botuha, Candice
err分享
err收藏
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-19
err8
errOAAI
errWieduwil, Erna K.; Boto, Roberto A.; Macetti, Giovanni; Laplaza, Ruben; Contreras-Garcia, Julia; Genoni, Alessandro
err分享
err收藏
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-11-28
err10
errOAAI
errCasademont-Reig, Irene; Woller, Tatiana; Garcia, Victor; Contreras-Garcia, Julia; Tiznado, William; Torrent-Sucarrat, Miquel; Matito, Eduard; Alonso, Mercedes
err分享
err收藏
Importance of non-covalent interactions in a nitrile anion metal-complex based on pyridine ligands: A theoretical and experimental approach
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2022-08-01
err1
errOAAI
errSetifi, Zouaoui; Landeros-Rivera, Bruno; Corfield, Peter W. R. M.; Gil, Diego M.; Contreras-Garcia, Julia; Setifi, Fatima; Stoeckli-Evans, Helen
err分享
err收藏
E6C15 (E = Si-Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons
errCHEMICAL COMMUNICATIONS
IF4.2
err2022-01-01
err11
errOAAI
errInostroza, Diego; Leyva-Parra, Luis; Vasquez-Espinal, Alejandro; Contreras-Garcia, Julia; Cui, Zhong-Hua; Pan, Sudip; Thimmakondu, Venkatesan S.; Tiznado, William
err分享
err收藏

研究方向

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合作学者
合作期刊
G
Gernot Frenking
H 指数: 116 · 论文数: 1.4K
E
E. Luppi
H 指数: 112 · 论文数: 2.1K
A
Andrew J. P. White
H 指数: 98 · 论文数: 2.2K
W
Weitao Yang
H 指数: 96 · 论文数: 563
P
Peter Wipf
H 指数: 96 · 论文数: 1.0K
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