Kondo Effect in a Neutral and Stable All Organic Radical Single Molecule Break Junction
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Spin Adapted Versus Broken Symmetry Approaches in the Description of Magnetic Coupling in Heterodinuclear Complexes
Spin Adapted Versus Broken Symmetry Approaches in the Description of Magnetic Coupling in Heterodinuclear Complexes R. Costa, R. Valero, D. Reta-Mañeru, I. de P.R. Moreira, F. Illas. J. Chem. Theo. […]
Dynamical effects on the magnetic properties of dithiazolyl bistable materials
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Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology
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Self-assembled trityl radical capsules – implications for dynamic nuclear polarization.
Self-assembled trityl radical capsules – implications for dynamic nuclear polarization. I. Marin-Montesinos, J. C. Paniagua, M. Vilaseca, A. Urtizberea, F. Luis, M. Feliz, F. Lin, S. Van Doorslaerg and M. […]
5D quantum dynamics of the H2@SWNT system: Quantitative study of the rotational- translational coupling
5D quantum dynamics of the H2@SWNT system: Quantitative study of the rotational- translational coupling M. Mondelo-Martell, F. Huarte-Larrañaga. J. Chem. Phys., 142 (2015) 084304. Groundstate of H2 encapsulated in […]
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
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Benzene-Hydrogen Bond (C6H6-HX) Interactions: The Influence of the X Nature on their Strength and Anisotropy
Benzene-Hydrogen Bond (C6H6-HX) Interactions: The Influence of the X Nature on their Strength and Anisotropy M. Albertí, A. Aguilar, F. Huarte-Larrañaga, J.M. Lucas, F. Pirani J. Phys. Chem. A, 118 […]
Experimental guided ion beam and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ions
Experimental guided ion beam and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ions E. López, J.M. Lucas, J. de Andrés, M. […]
Unexpected Reactivity of Amidogen Radical in the Gas Phase Degradation of Nitric Acid
Unexpected Reactivity of Amidogen Radical in the Gas Phase Degradation of Nitric Acid J.M. Anglada, S. Olivella, A. Solé J. Am. Chem. Soc., 136 (2014) 6834. Catalytic cycle involving the […]