Intermolecular Charge—Transfer Spectra. III. Organic Molecular Complexes
نویسندگان
چکیده
منابع مشابه
First-principles intermolecular binding energies in organic molecular crystals
The intermolecular binding (lattice) energies are calculated for the molecular crystals cyclotrimethylene trinitramine, pentaerythritol, and pentaerythritol tetranitrate using the CRYSTAL 98/03 and GAUSSIAN 98 programs, the DMOL program and the CASTEP program and compared with experiment. Calculating the theoretical intermolecular binding energy as a tool for testing the intrinsic quality of a ...
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ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1954
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.27.268