Browsing by Subject "Electron distribution"
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(Texas A&M University. Libraries, 1983)The effect of electron correlation on the electron distribution and bonding of diborane is examined in several basis sets. The generalized molecular orbital method is used to define optimized orbitals for the configuration ...
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(Texas A&M University. Libraries, 1983)The electron deformation density of Li(,2)BeF(,4) was investigated with respect to a description of purely covalent bonding. X-ray diffraction data was collected from a single Li(,2)BeF(,4) crystal in the range 0.0 sin ...