Reactivity, energetics and molecular structure: A theoretical and experimental approach

dc.contributorjdavalos@iqfr.csic.es
dc.creatorDávalos Prado, Juan Z.
dc.creatorDávalos Prado, Juan Z.
dc.date2019-05-08T18:24:03Z
dc.date2019-05-08T18:24:03Z
dc.date2012-12
dc.date.accessioned2020-09-23T20:43:27Z
dc.date.available2020-09-23T20:43:27Z
dc.identifier1813 – 3894
dc.identifierhttp://cybertesis.uni.edu.pe/handle/uni/17428
dc.identifierREVCIUNI
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/3248488
dc.descriptionWe study chemical reactivity, energetics, interactions and structure of neutral and ionic species - in the gas phase- of fundamental, biological and technological relevance. For this purpose, we use a number of experimental (Fourier Transform Ion Cyclotron Resonance FT-ICR; calorimetry of combustion; Knudsen's effusion; photoelectron-photoion coincidence spectroscopy PEPICO) and theoretical techniques. The combination of the experimental results with those obtained by means of quantum-mechanic calculations (ab-initio, DFT) allow us to: i) obtain quantitative information on thermodynamic and kinetic of a variety of reactions in the phase gas, ii) determine interesting and novel relationship of reactivity-chemical structure, iii) determine the thermodynamic stability of neutral and ionic species, iv) to discover new species and new types of chemical bonds.
dc.descriptionRevisión por pares
dc.formatapplication/pdf
dc.languageeng
dc.publisherUniversidad Nacional de Ingeniería
dc.relationVolumen;15
dc.relationNúmero;1
dc.relationDávalos Prado, J. (2012). Reactivity, energetics and molecular structure: A theoretical and experimental approach. REVCIUNI, 15(1).
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceUniversidad Nacional de Ingeniería
dc.sourceRepositorio Institucional - UNI
dc.subjectThermodynamic stability
dc.subjectProton-exchange
dc.subjectMolecular-structure
dc.subjectCombustion calorimetry
dc.titleReactivity, energetics and molecular structure: A theoretical and experimental approach
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución