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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Energy interactions in amyloid-like fibrils from NNQQNY von Cuesta, Inmaculada García, Sánchez de Merás, Alfredo M J

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Development of accurate potentials for the physisorption of water on graphene von Vekeman, Jelle, García Cuesta, Inmaculada, Faginas-Lago, Noelia, Sánchez-Marín, José, Sánchez de Merás, Alfredo M. J.

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Multi-level coupled cluster theory von Myhre, Rolf H, Sánchez de Merás, Alfredo M J, Koch, Henrik

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Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition von Baudin, Pablo, Sánchez Marín, José, García Cuesta, Inmaculada, Sánchez de Merás, Alfredo M J

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Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations von Sánchez de Merás, Alfredo M J, Koch, Henrik, Cuesta, Inmaculada García, Boman, Linus

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A coupled cluster calculation of the spectrum of urea von Sánchez de Merás, Alfredo M.J, Cuesta, Inmaculada Garcı́a, Koch, Henrik

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Variation of polarizability in the [4n + 2] annulene series : from [22]-to [66]-annulene von GARCIA CUESTA, Inmaculada, SANCHEZ MARIN, José, BONDO PEDERSEN, Thomas, KOCH, Henrik, SANCHEZ DE MERAS, Alfredo M. J

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How nitrogen modifies the nuclear magnetic shielding in tetraazanaphthalenes von GARCIA CUESTA, Inmaculada, SANCHEZ MARIN, José, SANCHEZ DE MERAS, Alfredo M. J

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Lower Rydberg series of methane: A combined coupled cluster linear response and molecular quantum defect orbital calculation von Velasco, A. M., Pitarch-Ruiz, J., Sánchez de Merás, Alfredo M. J., Sánchez-Marín, J., Martin, I.

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From Pentalene to Dicyclopenta[b,g]naphthalene, or the Change towards Delocalized Structures von García Cuesta, Inmaculada, Coriani, Sonia, Lazzeretti, Paolo, Sánchez de Merás, Alfredo M. J.

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Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene von Garcı́a-Cuesta, I., Sánchez de Merás, Alfredo M. J., Koch, Henrik

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The use of polarized atomic orbitals in the initial guess in mcscf calculations von Sánchez De Merás, Alfredo M.J., Zaragozá, Francisco Torrens, Gil, Ignacio Nebot

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A coupled-cluster study of lanthanum trihalide structures von Jansik, Branislav, Sanchez de Meras, Alfredo M. J., Schimmelpfennig, Bernd, Ågren, Hans

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