Julien Pilmé - researchr alias

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Viewing Publication 1 - 10 from 10

2023

Promising insights in parallel grid-based algorithms for quantum chemical topologyHilaire Chevreau, Julien Pilmé. jcc, 44(16):1505-1516, 2023. [doi]

2021

New insights in chemical reactivity from quantum chemical topologyJohanna Klein, Paul Fleurat-Lessard, Julien Pilmé. jcc, 42(12):840-854, 2021. [doi]

2020

Quantum chemical topology at the spin-orbit configuration interaction level: Application to astatine compoundsCecilia Gomez Pech, Pi A. B. Haase, Dumitru-Claudiu Sergentu, Anastasia Borschevsky, Julien Pilmé, Nicolas Galland, Rémi Maurice. jcc, 41(23):2055-2065, 2020. [doi]

Quantum chemical topology from tight augmented core densitiesJulien Pilmé. jcc, 41(17):1616-1627, 2020. [doi]

2019

2017

3 (X = Cl, Br, I, At) fluorides revisited with quantum chemical topologyMohamed Amaouch, Dumitru-Claudiu Sergentu, David Steinmetz, Rémi Maurice, Nicolas Galland, Julien Pilmé. jcc, 38(32):2753-2762, 2017. [doi]

Electron localization function from density componentsJulien Pilmé. jcc, 38(4):204-210, 2017. [doi]

2011

Spin-driven activation of dioxygen in various metalloenzymes and their inspired modelsAurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal. jcc, 32(6):1178-1182, 2011. [doi]

New insights in quantum chemical topology studies using numerical grid-based analysesDavid Kozlowski, Julien Pilmé. jcc, 32(15):3207-3217, 2011. [doi]

2008

Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic momentsJulien Pilmé, Jean-Philip Piquemal. jcc, 29(9):1440-1449, 2008. [doi]

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