Hydrogenation of C24 Carbon Clusters: Structural Diversity and Energetic Properties von Pla, Paula, Dubosq, Clément, Rapacioli, Mathias, Posenitskiy, Evgeny, Alcamí, Manuel, Simon, Aude

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Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions von Ares, Pablo, Aguilar-Galindo, Fernando, Rodríguez-San-Miguel, David, Aldave, Diego A., Díaz-Tendero, Sergio, Alcamí, Manuel, Martín, Fernando, Gómez-Herrero, Julio, Zamora, Félix

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Molecular Growth Inside of Polycyclic Aromatic Hydrocarbon Clusters Induced by Ion Collisions von Delaunay, Rudy, Gatchell, Michael, Rousseau, Patrick, Domaracka, Alicja, Maclot, Sylvain, Wang, Yang, Stockett, Mark H, Chen, Tao, Adoui, Lamri, Alcamí, Manuel, Martín, Fernando, Zettergren, Henning, Cederquist, Henrik, Huber, Bernd A

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Stable Non-IPR C60 and C70 Fullerenes Containing a Uniform Distribution of Pyrenes and Adjacent Pentagons von Zettergren, Henning, Alcamí, Manuel, Martín, Fernando

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When is the Bell-Evans-Polanyi principle fulfilled in Diels-Alder reactions of fullerenes? von Pla, Paula, Wang, Yang, Alcamí, Manuel

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Unimolecular Reactivity of Uracil-Cu2+ Complexes in the Gas Phase von Lamsabhi, Al Mokhtar, Alcamí, Manuel, Mó, Otilia, Yáñez, Manuel, Tortajada, Jeanine, Salpin, Jean-Yves

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Key Structural Motifs To Predict the Cage Topology in Endohedral Metallofullerenes von Wang, Yang, Díaz-Tendero, Sergio, Martín, Fernando, Alcamí, Manuel

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Simple bond patterns predict the stability of Diels-Alder adducts of empty fullerenes von Pla, Paula, Wang, Yang, Alcamí, Manuel

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Relative Stability of Empty Exohedral Fullerenes: π Delocalization versus Strain and Steric Hindrance von Wang, Yang, Díaz-Tendero, Sergio, Alcamí, Manuel, Martín, Fernando

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Hydrogenated polycyclic aromatic hydrocarbons: isomerism and aromaticity von Pla, Paula, Wang, Yang, Martín, Fernando, Alcamí, Manuel

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Isomers of Hydrogenated Polycyclic Aromatic Hydrocarbons Explain the Presence of Infrared Bands in the 3 μm Region von Pla, Paula, Wang, Yang, Martín, Fernando, Alcamí, Manuel

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Long-range magnetic order in a purely organic 2D layer adsorbed on epitaxial graphene von Garnica, Manuela, Stradi, Daniele, Barja, Sara, Calleja, Fabian, Díaz, Cristina, Alcamí, Manuel, Martín, Nazario, Vázquez de Parga, Amadeo L., Martín, Fernando, Miranda, Rodolfo

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Explanation of the sign inversion in the magnetic circular dichroism of Möbius [28] hexaphyrin von Hršak, Dalibor, Pertejo, Manuel Alcamí, Lamsabhi, Al Mokhtar, Muranaka, Atsuya, Ceulemans, Arnout

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Theoretical Study of NO Dissociation on an Open Flat Ru(101̅1) Surface von Lan, Jinggang, Wang, Yang, Alcamí, Manuel, Martín, Fernando

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Topology-Based Approach to Predict Relative Stabilities of Charged and Functionalized Fullerenes von Wang, Yang, Díaz-Tendero, Sergio, Alcamí, Manuel, Martín, Fernando

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Cage connectivity and frontier π orbitals govern the relative stability of charged fullerene isomers von Wang, Yang, Díaz-Tendero, Sergio, Alcamí, Manuel, Martín, Fernando

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One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA von Lucia-Tamudo, Jesús, Alcamí, Manuel, Díaz-Tendero, Sergio, Nogueira, Juan J

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Theoretical Study of Structural and Electronic Trends of the Sulfonylurea Herbicides Family von Pulgar, Antonio, Valentín, Mónica, Rauer, Clemens, Pla, Paula, Alonso-Prados, José-Luis, Sandin-España, Pilar, Lamsabhi, Al Mokhtar, Alcamí, Manuel

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Reactivity of alloxydim herbicide: force and reaction electronic flux profiles von Villaverde, Juan J., Sandín-España, Pilar, Alonso-Prados, José L., Alcamí, Manuel, Lamsabhi, Al Mokhtar

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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations von Erdmann, Ewa, Łabuda, Marta, Aguirre, Néstor F, Díaz-Tendero, Sergio, Alcamí, Manuel

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