Please use this identifier to cite or link to this item: http://cybertesis.uni.edu.pe/handle/uni/17428
Title: Reactivity, energetics and molecular structure: A theoretical and experimental approach
Authors: Dávalos Prado, Juan Z.
Keywords: Thermodynamic stability;Proton-exchange;Molecular-structure;Combustion calorimetry
Issue Date: Dec-2012
Publisher: Universidad Nacional de Ingeniería
Series/Report no.: Volumen;15
Número;1
Related URI: Dávalos Prado, J. (2012). Reactivity, energetics and molecular structure: A theoretical and experimental approach. REVCIUNI, 15(1).
Abstract: We 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.
URI: http://cybertesis.uni.edu.pe/handle/uni/17428
ISSN: 1813 – 3894
E-mail: jdavalos@iqfr.csic.es
Rights: info:eu-repo/semantics/embargoedAccess
Appears in Collections:Vol. 15 Núm. 1 (2012)

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