Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks von Vekeman, J, Cuesta, I, Faginas-Lago, N, Wilson, J, Sánchez-Marín, J, Sánchez de Merás, A

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The electronic spectrum of SiH4: Jahn-Teller Rydberg series von Velasco, A M, Lavín, C, Sánchez de Merás, A M J, Sánchez Marín, J

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Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study von Yeamin, Md Bin, Faginas-Lago, N., Albertí, M., Cuesta, I. G., Sánchez-Marín, J., Sánchez de Merás, A. M. J.

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Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods von GARCIA CUESTA, I, SANCHEZ MARIN, J, SANCHEZ DE MERAS, A, PAWLOWSKI, F, LAZZERETTI, P

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Diatropicity of tetraazanaphthalenes von Cuesta, I. García, de Merás, A. Sánchez, Lazzeretti, P.

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Electronic spectrum of F2CO: theoretical calculations of vertical excitation energies and intensities von Lavín, C., Velasco, A. M., Martín, I., Pitarch-Ruíz, J. V., Sánchez de Merás, A. M. J., Sánchez-Marín, J.

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MP2 Study of Physisorption of Molecular Hydrogen onto Defective Nanotubes: Cooperative Effect in Stone–Wales Defects von Lugo, G, Cuesta, I. G, Sánchez Marín, J, Sánchez de Merás, A

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Low-Lying Rydberg States of HCl von Pitarch-Ruiz, J, Sánchez de Merás, A, Sánchez-Marín, J, Velasco, A. M, Lavín, C, Martín, I

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The electronic spectrum of SiH 4 : Jahn-Teller Rydberg series von Velasco, A. M., Lavín, C., Sánchez de Merás, A. M. J., Sánchez Marín, J.

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Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. II. Furo-furan isomers von García Cuesta, I, Soriano Jartín, R, Sánchez de Merás, A, Lazzeretti, P

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Carbon Nanorings: A Challenge to Theoretical Chemistry von Cuesta, I. García, Pedersen, T. B., Koch, H., Sánchez de Merás, A.

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Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo–pyrrole isomers von Garcı́a Cuesta, I., Soriano Jartı́n, R., Sánchez de Merás, A., Lazzeretti, P.

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Excitation Energies and Photoabsorption Oscillator Strengths of the Rydberg Series in CF3Cl. A Linear Response and Quantum Defect Study von Pitarch-Ruiz, J, Sánchez de Merás, A, Sánchez-Marín, J, Mayor, E, Velasco, A. M, Martín, I

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Polarizabilities of small annulenes from Cholesky CC2 linear response theory von Garcı́a Cuesta, I., Bondo Pedersen, T., Koch, H., Sánchez de Merás, A.M.J.

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Tratamiento de la vía aérea en un caso de enfermedadde Madelung o lipomatosis cervical von Diago, L. Gómez, Cádiz, M. J. Hernández, Higueras Guerrero, J, Sánchez de Merás, A

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Size-consistent ab initio calculation of the electric quadrupole moment of Cl2 von JUNQUERA-HERNANDEZ, J. M, SANCHEZ-MARIN, J, PEREZ-MONDEJAR, V, SANCHEZ DE MERAS, A

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Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methodsElectronic supplementary information (ESI) available: Table S-I, NMR shielding constants for CO; Fig. S-1... von Cuesta, I. García, Marín, J. Sánchez, de Merás, A. Sánchez, Paw owski, F, Lazzeretti, P

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Origin invariant calculation of optical rotation without recourse to London orbitals von Pedersen, Thomas Bondo, Koch, Henrik, Boman, Linus, Sánchez de Merás, Alfredo M.J

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The ring-current model of the paratropic pentalene molecule von Cuesta, I. Garcı́a, Ligabue, A., de Merás, A. Sánchez, Lazzeretti, P.

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Excitation Energies and Photoabsorption Oscillator Strengths of the Rydberg Series in CF 3 Cl. A Linear Response and Quantum Defect Study von Pitarch-Ruiz, J., Sánchez de Merás, A., Sánchez-Marín, J., Mayor, E., Velasco, A. M., Martín, I.

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