CYANATE ION IN COMPACT AMORPHOUS WATER ICE von MATE, Belén, HERRERO, Victor J, RODRIGUEZ-LAZCANO, Yamilet, FERNANDEZ-TORRE, Delia, MORENO, Miguel A, GOMEZ, Pedro C, ESCRIBANO, Rafael

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Proton transfer and autoionization in HNO3·HCl·(H2O)n particles von MINE BALCI, F, NEVIN, Uras-Aytemiz, GOMEZ, Pedro C, ESCRIBANO, Rafael

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Prediction of the near-IR spectra of ices by ab initio molecular dynamics von Escribano, Rafael, Gómez, Pedro C, Maté, Belén, Molpeceres, Germán, Artacho, Emilio

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Easy and accurate computation of energy barriers for carbocation solvation: an expeditious tool to face carbocation chemistry von Martínez, Antonio G, Siehl, Hans-Ulrich, de la Moya, Santiago, Gómez, Pedro C

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Vibrational spectra and physico-chemical properties of astrophysical analogs von Gómez, Pedro C, Escribano, Rafael

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Clusters of atmospheric relevance: H2O/HCl/HNO3. Prediction of IR & MW spectra von GOMEZ, Pedro C, GALVEZ, Oscar, MOSTEO, Rafael G, PUZZARINI, Cristina, ESCRIBANO, R

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Ab Initio Study of Hydroxyl Torsional Barriers and Molecular Properties of Mono- and Di-iodotyrosine von Pacios, Luis F, Gómez, Pedro C, Gálvez, Oscar

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Hydration of HNO3–HOCl clusters: Bonding properties von Mine Balcı, F., Uras-Aytemiz, Nevin, Escribano, Rafael, Gómez, Pedro C.

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Density and porosity of amorphous water ice by DFT methods von Gómez, Pedro C., Satorre Aznar, Miguel Á., Escribano, Rafael

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Characterization of two types of intermolecular interactions on halogen monoxide monohydrates von Gálvez, Oscar, Gómez, Pedro C, Pacios, Luis F

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Structural proton transfer rates in pure water according to Marcus theory and TD-DFT computations von Martínez, Antonio García, Gómez, Pedro C., de la Moya, Santiago, Siehl, Hans-Ullrich

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Revealing the mechanism of the water autoprotolysis on the basis of Marcus theory and TD-DFT methodology von Martínez, Antonio García, Gómez, Pedro C., de la Moya, Santiago, Siehl, Hans-Ullrich

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Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes von Pacios, Luis F., Gómez, Pedro C., Gálvez, Oscar

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Environmental effects on proton transfer in a strong hydrogen bond dimer: the 4-methyl-imidazole-aspartate case von Gómez, Pedro C, Pacios, Luis F

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An ab initio study on the structure and energetics of the ClO hydrates von Gálvez, Oscar, Gómez, Pedro C.

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Vibrational spectra and physico-chemical properties of astrophysical analogsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04695b von Gómez, Pedro C, Escribano, Rafael

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Proton transfer and autoionization in HNO3 times HCl times (H2O)n particles von Balci, FMine, Uras-Aytemiz, Nevin, Gomez, Pedro C, Escribano, Rafael

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Dependence of Calculated NMR Proton Chemical Shifts on Electron Density Properties in Proton-Transfer Processes on Short Strong Hydrogen Bonds von Pacios, Luis F, Gómez, Pedro C

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An Experimental and Computational Study about the Effect of a Spirocyclopropane Group on the Solvolysis Rates of Bridgehead Triflates von Martínez, Antonio García, Vilar, Enrique Teso, de la Moya Cerero, Santiago, Barcina, José Osío

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RÉCITS DES MAÎTRES DE LA TERRE 1. Tachuku von García Hernández, María Angélica

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