Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory
Battaglia, Stefano, Faginas-Lago, Noelia, Andrae, Dirk, Evangelisti, Stefano, Leininger, Thierry
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.05.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.05.2017)
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Journal Article
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures
Apriliyanto, Yusuf Bramastya, Faginas-Lago, Noelia, Evangelisti, Stefano, Bartolomei, Massimiliano, Leininger, Thierry, Pirani, Fernando, Pacifici, Leonardo, Lombardi, Andrea
Published in Molecules (Basel, Switzerland) (01.09.2022)
Published in Molecules (Basel, Switzerland) (01.09.2022)
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Journal Article
The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains
Fertitta, Edoardo, El Khatib, Muammar, Bendazzoli, Gian Luigi, Paulus, Beate, Evangelisti, Stefano, Leininger, Thierry
Published in The Journal of chemical physics (28.12.2015)
Published in The Journal of chemical physics (28.12.2015)
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Journal Article
The total position-spread tensor: spin partition
El Khatib, Muammar, Brea, Oriana, Fertitta, Edoardo, Bendazzoli, Gian Luigi, Evangelisti, Stefano, Leininger, Thierry
Published in The Journal of chemical physics (07.03.2015)
Published in The Journal of chemical physics (07.03.2015)
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Journal Article
Ab initio study of methyl-bromide photodissociation in the A band
Escure, Christelle, Leininger, Thierry, Lepetit, Bruno
Published in The Journal of chemical physics (28.06.2009)
Published in The Journal of chemical physics (28.06.2009)
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Journal Article
The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study
Monari, Antonio, Leininger, Thierry, Evangelisti, Stefano, Cusinato, Lucy
Published in Advances in Condensed Matter Physics (01.01.2018)
Published in Advances in Condensed Matter Physics (01.01.2018)
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Journal Article
A Wigner molecule at extremely low densities: a numerically exact study
Escobar Azor, Miguel, Brooke, Léa, Evangelisti, Stefano, Leininger, Thierry, Loos, Pierre-François, Suaud, Nicolas, Berger, Arjan
Published in SciPost physics core (01.11.2019)
Published in SciPost physics core (01.11.2019)
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Journal Article
Ab initio study of valence and Rydberg states of CH3Br
Escure, Christelle, Leininger, Thierry, Lepetit, Bruno
Published in The Journal of chemical physics (28.06.2009)
Published in The Journal of chemical physics (28.06.2009)
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Journal Article
Publisher's Note: "The total position-spread tensor: Spin partition" [J. Chem. Phys. 142, 094113 (2015)]
El Khatib, Muammar, Brea, Oriana, Fertitta, Edoardo, Bendazzoli, Gian Luigi, Evangelisti, Stefano, Leininger, Thierry
Published in The Journal of chemical physics (28.03.2015)
Published in The Journal of chemical physics (28.03.2015)
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Journal Article
Product vibrational distributions in CH3Br photodissociation
Escure, Christelle, Leininger, Thierry, Lepetit, Bruno
Published in Chemical physics letters (28.09.2009)
Published in Chemical physics letters (28.09.2009)
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Journal Article
New study of the line profiles of sodium perturbed by H 2
Allard, N. F., Spiegelman, F., Leininger, T., Molliere, P.
Published in Astronomy and astrophysics (Berlin) (15.08.2019)
Published in Astronomy and astrophysics (Berlin) (15.08.2019)
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Journal Article
Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study
Paláček, Stanislav, Kalus, René, Gadéa, Florent Xavier, Benhenni, Malika, Leininger, Thierry, Yousfi, Mohammed
Published in Chemphyschem (02.01.2024)
Published in Chemphyschem (02.01.2024)
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Journal Article
Cover Feature: Rotational Transitions in the N 2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)
Paláček, Stanislav, Kalus, René, Gadéa, Florent Xavier, Benhenni, Malika, Leininger, Thierry, Yousfi, Mohammed
Published in Chemphyschem (02.01.2024)
Published in Chemphyschem (02.01.2024)
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Journal Article
Cover Feature: Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study (ChemPhysChem 1/2024)
Paláček, Stanislav, Kalus, René, Gadéa, Florent Xavier, Benhenni, Malika, Leininger, Thierry, Yousfi, Mohammed
Published in Chemphyschem (02.01.2024)
Published in Chemphyschem (02.01.2024)
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Journal Article
Nanostructure Selectivity for Molecular Adsorption and Separation: the Case of Graphyne Layers
Apriliyanto, Yusuf Bramastya, Faginas Lago, Noelia, Lombardi, Andrea, Evangelisti, Stefano, Bartolomei, Massimiliano, Leininger, Thierry, Pirani, Fernando
Published in Journal of physical chemistry. C (19.07.2018)
Published in Journal of physical chemistry. C (19.07.2018)
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Journal Article
Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study
Mattoso, Samuel Henrique, Brumas, Véronique, Evangelisti, Stefano, Fronzoni, Giovanna, Leininger, Thierry, Stener, Mauro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.11.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.11.2023)
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Journal Article