One-Pot Graphene Supported Pt3Cu Nanoparticles—From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst
Galindo-Uribe, Carlos Daniel, Geudtner, Gerald, Calaminici, Patrizia, Solorza-Feria, Omar
Published in Molecules (Basel, Switzerland) (28.06.2023)
Published in Molecules (Basel, Switzerland) (28.06.2023)
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Journal Article
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review
de la Lande, Aurélien, Alvarez-Ibarra, Aurelio, Hasnaoui, Karim, Cailliez, Fabien, Wu, Xiaojing, Mineva, Tzonka, Cuny, Jérôme, Calaminici, Patrizia, López-Sosa, Luis, Geudtner, Gerald, Navizet, Isabelle, Garcia Iriepa, Cristina, Salahub, Dennis R, Köster, Andreas M
Published in Molecules (Basel, Switzerland) (26.04.2019)
Published in Molecules (Basel, Switzerland) (26.04.2019)
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Journal Article
One-Pot Graphene Supported Pt[sub.3]Cu Nanoparticles—From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst
Galindo-Uribe, Carlos Daniel, Geudtner, Gerald, Calaminici, Patrizia, Solorza-Feria, Omar
Published in Molecules (Basel, Switzerland) (01.06.2023)
Published in Molecules (Basel, Switzerland) (01.06.2023)
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Journal Article
Molecular graphs of Mo2nCn (n = 1–10) clusters
Cruz-Olvera, Domingo, Geudtner, Gerald, Calaminici, Patrizia
Published in Theoretical chemistry accounts (17.10.2016)
Published in Theoretical chemistry accounts (17.10.2016)
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Journal Article
Molecular graphs of $$\hbox {Mo}_{2n}\hbox {C}_n$$ Mo 2 n C n (n = 1–10) clusters
Cruz-Olvera, Domingo, Geudtner, Gerald, Calaminici, Patrizia
Published in Theoretical chemistry accounts (01.11.2016)
Published in Theoretical chemistry accounts (01.11.2016)
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Journal Article
Molecular graphs of Mo 2 n C n (n = 1–10) clusters
Cruz-Olvera, Domingo, Geudtner, Gerald, Calaminici, Patrizia
Published in Theoretical chemistry accounts (01.01.2016)
Published in Theoretical chemistry accounts (01.01.2016)
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Journal Article
A molecular mechanics implementation of the cyclic cluster model
Samaniego-Rojas, Juan Diego, Gaumard, Robin, Alejandre, José, Mineva, Tzonka, Geudtner, Gerald, Köster, Andreas M.
Published in Zeitschrift für Naturforschung. B, A journal of chemical sciences (25.04.2024)
Published in Zeitschrift für Naturforschung. B, A journal of chemical sciences (25.04.2024)
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Journal Article
One-Pot Graphene Supported Pt 3 Cu Nanoparticles-From Theory towards an Effective Molecular Oxygen Reduction Reaction Catalyst
Galindo-Uribe, Carlos Daniel, Geudtner, Gerald, Calaminici, Patrizia, Solorza-Feria, Omar
Published in Molecules (Basel, Switzerland) (28.06.2023)
Get full text
Published in Molecules (Basel, Switzerland) (28.06.2023)
Journal Article
Growth Pattern of (Bi2O3) n Clusters with n = 1–5: A First Principle Investigation
Geudtner, Gerald, Calaminici, Patrizia, Köster, Andreas M
Published in Journal of physical chemistry. C (27.06.2013)
Published in Journal of physical chemistry. C (27.06.2013)
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Journal Article
First Principle Investigation of (Bi 2 O 3 ) n Clusters With n = 6 − 9
Geudtner, Gerald, Calaminici, Patrizia, Köster, Andreas M.
Published in Zeitschrift für physikalische Chemie (Neue Folge) (28.05.2016)
Published in Zeitschrift für physikalische Chemie (Neue Folge) (28.05.2016)
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Journal Article
Static and dynamic polarizability of C 540 fullerene
Calaminici, Patrizia, Carmona‐Espindola, Javier, Geudtner, Gerald, Köster, Andreas M.
Published in International journal of quantum chemistry (05.10.2012)
Published in International journal of quantum chemistry (05.10.2012)
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Journal Article
Magnetizability tensors from auxiliary density functional theory
Zuniga-Gutierrez, Bernardo, Geudtner, Gerald, Köster, Andreas M
Published in The Journal of chemical physics (07.09.2012)
Published in The Journal of chemical physics (07.09.2012)
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Journal Article
First-Principle Calculations of Large Fullerenes
Calaminici, Patrizia, Geudtner, Gerald, Köster, Andreas M
Published in Journal of chemical theory and computation (13.01.2009)
Published in Journal of chemical theory and computation (13.01.2009)
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Journal Article
NMR shielding tensors from auxiliary density functional theory
Zuniga-Gutierrez, Bernardo, Geudtner, Gerald, Köster, Andreas M
Published in The Journal of chemical physics (28.03.2011)
Published in The Journal of chemical physics (28.03.2011)
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