Self-Organization Features of Tetraphenylporphyrins according to Quantum Chemical Calculations
نویسندگان
چکیده
منابع مشابه
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...
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ژورنال
عنوان ژورنال: Macroheterocycles
سال: 2019
ISSN: 1998-9539
DOI: 10.6060/mhc190552e