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• W2151356146 abstract "A simple method of analysing and localization of canonical molecular orbitals for particular chemical bond using the MO-resolved bond-order decomposition scheme is presented. An alternative definition of classical bond order orbitals is provided and links to communication theory of the chemical bond are outlined and briefly discussed. The introduced procedure of decomposition of quadratic bond orders allows one to analyse two- as well as three- center chemical bonds within the framework of the same theory." @default.
• W2151356146 created "2016-06-24" @default.
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• W2151356146 date "2013-03-29" @default.
• W2151356146 modified "2023-10-18" @default.
• W2151356146 title "On quadratic bond-order decomposition within molecular orbital space" @default.
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• W2151356146 doi "https://doi.org/10.1007/s10910-013-0169-0" @default.
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