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Dumitru-Claudiu Sergentu

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Journal Articles

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2020
[j3]
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  - journals/jcc/PechHSBPGM20
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Cecilia Gomez Pech, Pi A. B. Haase, Dumitru-Claudiu Sergentu, Anastasia Borschevsky, Julien Pilmé, Nicolas Galland, Rémi Maurice:
Quantum chemical topology at the spin-orbit configuration interaction level: Application to astatine compounds. J. Comput. Chem. 41(23): 2055-2065 (2020)
2017
[j2]
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Mohamed Amaouch, Dumitru-Claudiu Sergentu, David Steinmetz, Rémi Maurice, Nicolas Galland, Julien Pilmé:
The bonding picture in hypervalent XF₃ (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology. J. Comput. Chem. 38(32): 2753-2762 (2017)
2016
[j1]
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Dumitru-Claudiu Sergentu, Grégoire David, Gilles Montavon, Rémi Maurice, Nicolas Galland:
Scrutinizing "Invisible" astatine: A challenge for modern density functionals. J. Comput. Chem. 37(15): 1345-1354 (2016)

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