Química Física y Analítica
Departament
Pierre and Marie Curie University
París, FranciaPublicacions en col·laboració amb investigadors/es de Pierre and Marie Curie University (32)
2022
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Chemical Information
Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory: Volume 1 (wiley), pp. 349-374
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New venues in electron density analysis
Physical Chemistry Chemical Physics, Vol. 24, Núm. 36, pp. 21538-21548
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TP53 Abnormalities Are Underlying the Poor Outcome Associated with Chromothripsis in Chronic Lymphocytic Leukemia Patients with Complex Karyotype
Cancers, Vol. 14, Núm. 15
2021
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Energetics of Electron Pairs in Electrophilic Aromatic Substitutions
Molecules (Basel, Switzerland), Vol. 26, Núm. 2
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Understanding topological insulators in real space
Molecules, Vol. 26, Núm. 10
2020
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Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions
Journal of Physical Chemistry A, Vol. 124, Núm. 10, pp. 1959-1972
2019
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A bonding evolution theory study on the catalytic Noyori hydrogenation reaction
Molecular Physics, Vol. 117, Núm. 9-12, pp. 1315-1324
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Nine questions on energy decomposition analysis
Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283
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Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization
Chemistry - A European Journal, Vol. 25, Núm. 46, pp. 10938-10945
2018
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Building Fluorinated Hybrid Crystals: Understanding the Role of Noncovalent Interactions
Crystal Growth and Design, Vol. 18, Núm. 11, pp. 6901-6910
2016
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A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?
Theoretical Chemistry Accounts, Vol. 135, Núm. 10
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Effects of the CO2 Guest Molecule on the sI Clathrate Hydrate Structure
Materials, Vol. 9, Núm. 9
2015
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A view of covalent and ionic bonding from Maximum Probability Domains
Computational and Theoretical Chemistry, Vol. 1053, pp. 142-149
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From ELF to compressibility in solids
International Journal of Molecular Sciences, Vol. 16, Núm. 4, pp. 8151-8167
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Guest-host interactions in gas clathrate hydrates under pressure
High Pressure Research, Vol. 35, Núm. 1, pp. 49-56
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Preface to the Special Issue on "Understanding structure and reactivity from topology and beyond"
Computational and Theoretical Chemistry
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Six questions on topology in theoretical chemistry
Computational and Theoretical Chemistry, Vol. 1053, pp. 2-16
2012
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Bonding changes along solid-solid phase transitions using the electron localization function approach
Modern Charge-Density Analysis (Springer Netherlands), pp. 625-658
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Ionic interactions: Comparative topological approach
Computational and Theoretical Chemistry, Vol. 998, pp. 193-201
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Local pressures in Zn chalcogenide polymorphs
EPL, Vol. 98, Núm. 5