Publications with the keyword "chemical reaction"

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P. Lustemberg, R. Palomino, R. Gutiérrez, D. Grinter, M. Vorokhta, Z. Liu, P. Ramírez, V. Matolín, et al.
Direct Conversion of Methane to Methanol on Ni-Ceria Surfaces: Metal-Support Interactions and Water-Enabled Catalytic Conversion by Site Blocking
Journal of the American Chemical Society (cited By 37), 140(24), 7681-7687, 2018
catalyst selectivity cerium oxide computation theory metals methane methanol photoelectron spectroscopy temperature ambient pressures catalytic conversion ceria-based catalysts computational studies metal-support interactions moderate temperature value-added chemicals x ray photoemission spectroscopy density functional theory carbon dioxide carbon monoxide cerium oxide metal methane methanol methyl group nickel oxygen water article calculation catalysis chemical analysis chemical interaction chemical parameters chemical reaction computational study controlled study decomposition density functional theory calculation low temperature surface property x ray photoemission spectroscopy
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R. Bueno, J. Martínez, R. Luccas, N. D. Árbol, C. Munuera, I. Palacio, F. Palomares, K. Lauwaet, et al.
Highly selective covalent organic functionalization of epitaxial graphene
Nature Communications (cited By 19), 8, 2017
graphene adsorption carbon chemical bonding molecular analysis nanoparticle nitrogen oxidation absorption adsorption article chemical interaction chemical reaction covalent bond dehydrogenation oxidation oxidative coupling surface property x ray photoelectron spectroscopy
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J. Monti, C. Tachino, J. Hanssen, O. Fojón, M. Galassi, C. Champion, and R. Rivarola
Distorted wave calculations for electron loss process induced by bare ion impact on biological targets
Applied Radiation and Isotopes (cited By 9), 83, 105-108, 2014
biological targets capture distorted waves distorted-wave calculations distorted-wave models electron ionization energy depositions single electron capture biomolecules distortion (waves) ion bombardment ionization molecular biology electrons adenine dna ion water article chemical reaction controlled study electron loss process ionization mathematical analysis mathematical computing mathematical model molecular interaction physical chemistry prediction priority journal screening test single electron capture single electron ionization biomolecules capture distorted wave ionization electrons ions models theoretical probability
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Y. Wang, J. Solano-Canchaya, M. Alcamí, H. Busnengo, and F. Martín
Commensurate solid-solid phase transitions in self-assembled monolayers of alkylthiolates lying on metal surfaces
Journal of the American Chemical Society (cited By 8), 134(32), 13224-13227, 2012
ab initio potential energy surface au(1 1 1 ) carbon atoms chain-chain interactions head groups lattice spacing metal surfaces molecular dynamics simulations pt(111) room temperature sams solid-solid phase transitions temperature-induced molecular dynamics platinum quantum chemistry sulfur self assembled monolayers alkylthiolate derivative carbon platinum self assembled monolayer sulfur thiol derivative unclassified drug ab initio calculation article chemical reaction crystal structure electronics molecular dynamics optical instrumentation phase transition room temperature solid temperature
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C. Díaz, E. Pijper, R. Olsen, H. Busnengo, D. Auerbach, and G. Kroes
Chemically accurate simulation of a prototypical surface reaction: h 2 dissociation on Cu(111)
Science (cited By 230), 326(5954), 832-834, 2009
copper hydrogen accuracy assessment adsorption catalysis copper hydrogen adsorption article catalysis chemical reaction density functional theory dissociation energy molecular dynamics molecular interaction priority journal simulation
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