The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder von Cimas, Álvaro, Tielens, Frederik, Sulpizi, Marialore, Gaigeot, Marie-Pierre, Costa, Dominique

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Conformational Behavior of d‑Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies von Calabrese, Camilla, Écija, Patricia, Compañón, Ismael, Vallejo-López, Montserrat, Cimas, Álvaro, Parra, Maider, Basterretxea, Francisco J, Santos, José I, Jiménez-Barbero, Jesús, Lesarri, Alberto, Corzana, Francisco, Cocinero, Emilio J

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Computational study of peptide bond formation in the gas phase through ion―molecule reactions von REDONDO, Pilar, MARTINEZ, Henar, CIMAS, Alvaro, BARRIENTOS, Carmen, LARGO, Antonio

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Computational Study of the Reaction of P+ with Acetylene: Does Spin-Crossing Play a Significant Role? von Cimas, Álvaro, Rayón, Víctor M, Largo, Antonio

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Six Pyranoside Forms of Free 2-Deoxy-D-ribose von Peña, Isabel, Cocinero, Emilio J., Cabezas, Carlos, Lesarri, Alberto, Mata, Santiago, Écija, Patricia, Daly, Adam M., Cimas, Álvaro, Bermúdez, Celina, Basterretxea, Francisco J., Blanco, Susana, Fernández, José A., López, Juan C., Castaño, Fernando, Alonso, José L.

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Calorimetric and Computational Study of the Thermochemistry of Phenoxyphenols von Ribeiro da Silva, Manuel A. V, Lobo Ferreira, Ana I. M. C, Cimas, Álvaro

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Energetic study of benzothiazole and two methylbenzothiazole derivatives: Calorimetric and computational approaches von Silva, Ana L.R., Cimas, Álvaro, Ribeiro da Silva, Maria D.M.C.

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Free Fructose Is Conformationally Locked von Cocinero, Emilio J, Lesarri, Alberto, Écija, Patricia, Cimas, Álvaro, Davis, Benjamin G, Basterretxea, Francisco J, Fernández, José A, Castaño, Fernando

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Hydrogen bonding in electronically excited states: a comparison between formic acid dimer and its mono-substituted thioderivatives von Cimas, Álvaro, Mó, Otilia, Yáñez, Manuel, Martín, Nazario, Corral, Inés

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Thermochemistry of 2-methylbenzoxazole and 2,5-dimethylbenzoxazole: an experimental and computational study von Silva, Ana L. R., Cimas, Álvaro, Ribeiro da Silva, Maria D. M. C.

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Experimental and computational thermochemical studies of benzoxazole and two chlorobenzoxadole derivatives von Silva, Ana L.R., Cimas, Álvaro, Ribeiro da Silva, Maria D.M.C.

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Charged titanium-doped carbon clusters: Structures and energetics von Largo, Laura, Cimas, Álvaro, Redondo, Pilar, Rayón, Víctor M., Barrientos, Carmen

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A Combined Experimental and Computational Thermodynamic Study of Difluoronitrobenzene Isomers von Ribeiro da Silva, Manuel A. V, Monte, Manuel J. S, Lobo Ferreira, Ana I. M. C, Oliveira, Juliana A. S. A, Cimas, Álvaro

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Experimental and computational study on the molecular energetics of benzyloxyphenol isomers von Ribeiro da Silva, Manuel A.V., Lobo Ferreira, Ana I.M.C., Cimas, Álvaro

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Energetic Study Applied to the Knowledge of the Structural and Electronic Properties of Monofluorobenzonitriles von Ribeiro da Silva, Manuel A. V, Monte, Manuel J. S, Rocha, Inês M, Cimas, Álvaro

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Experimental and computational study of the energetics of 5- and 6-aminoindazole von Ribeiro da Silva, Manuel A.V., Cabral, Joana I.T.A., Cimas, Álvaro

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Stalking Higher Energy Conformers on the Potential Energy Surface of Charged Species von Brites, Vincent, Cimas, Alvaro, Spezia, Riccardo, Sieffert, Nicolas, Lisy, James M, Gaigeot, Marie-Pierre

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Experimental and Computational Thermodynamic Study of Three Monofluoronitrobenzene Isomers von Ribeiro da Silva, Manuel A. V, Monte, Manuel J. S, Lobo Ferreira, Ana I. M. C, Oliveira, Juliana A. S. A, Cimas, Álvaro

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Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin von Silva, Ana L.R., Cimas, Álvaro, Vale, Nuno, Gomes, Paula, Monte, Manuel J.S., Ribeiro da Silva, Maria D.M.C.

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Proton Transfer from the Inactive Gas-Phase Nicotine Structure to the Bioactive Aqueous-Phase Structure von Gaigeot, Marie-Pierre, Cimas, Alvaro, Seydou, Mahamadou, Kim, Ju-Young, Lee, Sungyul, Schermann, Jean-Pierre

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