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Milagros Medina (Rubén Laplaza, Ruben Laplaza)

Scopus Author ID Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 16

Top Venues

Chemical science

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Chimia

Sorbonne University

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

Affiliation History

Sorbonne University Oct 1o 2017

France

PhD candidate :: Laboratoire de Chimie Théorique

Publications

Simone Gallarati, Puck Van Gerwen, Alexandre A Schoepfer, Milagros Medina, Clémence Corminbœuf
Genetic Algorithms for the Discovery of Homogeneous Catalysts. Chimia 77 (1-2) (2023)
Matthew D Wodrich, Milagros Medina, Nicolai Cramer, Markus Reiher, Clémence Corminbœuf
Toward in silico Catalyst Optimization. Chimia 77 (3) (2023)
J Terence Blaskovits, Milagros Medina, Sergi Vela, Clémence Corminbœuf
Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design. Advanced materials (Deerfield Beach, Fla.) (2023)
Erna K 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)
Erna K 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)
Simone Gallarati, Puck van Gerwen, Milagros Medina, Sergi Vela, Alberto Fabrizio, Clémence Corminbœuf
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts. Chemical science 13 (46) (2022)
Shubhajit Das, Milagros Medina, J Terence Blaskovits, Clémence Corminbœuf
Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts. Angewandte Chemie (International ed. in English) 61 (32) (2022)
Marc H Garner, Milagros Medina, Clémence Corminbœuf
Helical versus linear Jahn-Teller distortions in allene and spiropentadiene radical cations. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Simone Gallarati, Puck van Gerwen, Milagros Medina, Sergi Vela, Alberto Fabrizio, Clémence Corminbœuf
OSCAR: an extensive repository of chemically and functionally diverse organocatalysts. Chemical science 13 (46) (2022)
Simone Gallarati, Raimon Fabregat, Milagros Medina, Sinjini Bhattacharjee, Matthew D Wodrich, Clémence Corminbœuf
Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts. Chemical science 12 (20) (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)
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, Carlos Cárdenas, Patrick Chaquin, Julia Contreras-García, Paul W Ayers
Orbital energies and nuclear forces in DFT: Interpretation and validation. Journal of computational chemistry 42 (5) (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)
Milagros Medina, Victor Polo, Julia Contreras-García
Localizing electron density errors in density functional theory. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Marta Martínez-Júlvez, Guillermina Goñi, Daniel Pérez-Amigot, Rubén Laplaza, Irina Alexandra Ionescu, Silvana Petrocelli, María Laura Tondo, Javier Sancho, Elena G Orellano, Milagros Medina
Identification of Inhibitors Targeting Ferredoxin-NADP⁺ Reductase from the Xanthomonas citri subsp. citri Phytopathogenic Bacteria. Molecules (Basel, Switzerland) 23 (1) (2017)

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Publication Activity (10 Years)

Top Topics

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Milagros Medina (Rubén Laplaza, Ruben Laplaza)