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Journal of Chemical Theory and Computation|February 19, 2025
Decomposition Analysis for Visualization of Noncovalent Interactions Based on the Fragment Molecular Orbital MethodDmitri G Fedorov, Diego Inostroza, Bastien Courbiere, et al.Journal of Computational Chemistry|November 24, 2025
Energy and Real Space Characteristics of Non-Covalent Interactions Across the Periodic TableEline Desmedt, Katarzyna Zator, Tatiana Woller, et al.Journal of Chemical Theory and Computation|November 28, 2012
Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactionsNatacha Gillet, Robin Chaudret, Julia Contreras-Garcίa, et al.Physical Chemistry Chemical Physics : PCCP|July 1, 2017
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron densityCorentin Lefebvre, Gaëtan Rubez, Hassan Khartabil, et al.Physical Chemistry Chemical Physics : PCCP|January 16, 2023
How do density functionals affect the Hirshfeld atom refinement?Bruno Landeros-Rivera, David Ramírez-Palma, Fernando Cortés-Guzmán, et al.Tetrahedron|August 28, 2010
Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-onesJared T Hammill, Julia Contreras-García, Aaron M Virshup, et al.Chemical Communications (Cambridge, England)|September 27, 2019
A chemical theory of topological insulatorsAngel Martín Pendás, Julia Contreras-García, Fernanda Pinilla, et al.Journal of Chemical Theory and Computation|January 19, 2023
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index AnalysesErna K Wieduwilt, Roberto A Boto, Giovanni Macetti, et al.Journal of Chemical Theory and Computation|November 20, 2015
Are Bond Critical Points Really Critical for Hydrogen Bonding?Joseph R Lane, Julia Contreras-García, Jean-Philip Piquemal, et al.Physical Chemistry Chemical Physics : PCCP|January 12, 2018
New electron delocalization tools to describe the aromaticity in porphyrinoidsIrene Casademont-Reig, Tatiana Woller, Julia Contreras-García, et al.Pageof 9