Calculations of the charge distribution in dodecyltrimethylammonium: a quantum chemical investigation

mesuring the staff technology readiness, the case of a multi national chemical company operating in iran

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Charge Carrier Mobility in Phthalocyanines: Experiment and Quantum Chemical Calculations

High-Level Quantum Chemical Calculations of Ozone-Water Complexes

The structural and energetic characteristics of O3–H2O complexes have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Six conformers were found for the O3–H2O complex. Two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional O∙∙∙H hyd...

an investigation of the types of text reduction in subtitling: a case study of the persian film gilaneh with english subtitles

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the investigation of the relationship between type a and type b personalities and quality of translation

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