Weerapong Phadungsukanan

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The semantic architecture of CML consists of conventions, dictionaries and units. The conventions conform to a top-level specification and each convention can constrain compliant documents through machine-processing (validation). Dictionaries conform to a dictionary specification which also imposes machine validation on the dictionaries. Each dictionary can(More)
: This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations(More)
Tetraethoxysilane (TEOS) is used as a precursor in the industrial production of silica nanoparticles using thermal decomposition methods such as flame spray pyrolysis (FSP). Despite the industrial importance of this process, the current kinetic model of high-temperature decomposition of TEOS to produce intermediate silicon species and eventually form(More)
This work presents thermochemical data for possible gas phase intermediate species in an industrial rutile chlorinator. An algorithm developed for previous work is employed to ensure that all possible species are considered, reducing the number of important species neglected. Thermochemical data and enthalpies of formation are calculated for 22 new species(More)
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