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List of Figures
The Natural Bond Orbital NBO Method
8 other sections not shown
ab-initio absorption acceptor alkyl antibond aryl atomic orbital B-N bond Benzene Derivatives bond lengths Bond Orbital Borazine and Benzene borazine derivatives calculations CH2CI2 solution chain length Chapter Chem Chemistry cm2 Au electrode coefficients Cyclic voltammogram delocalization Delocalization Interaction destabilizing dihedral angle electron delocalization electron density electron transfer electronic properties electronic structure Energy Level Diagram Eonset equation Et4NBF4 experimental film Fock matrix Hartree-Fock HOMO Vertical IP hybrids Ionization Potentials kcal/mole Koopmans Lett Lewis structure linear lone pair Macromolecules measured in 0.1 Methyl Miller model compounds molecule Monosubstituted Borazines mV/s NBO analysis NBO method non-Lewis observed oligomers Oxidation Peak Height Peak Current Density perturbative Phys polarity poly(phenylmethylsilane polymer polysilane polysilane derivatives polysilane oligomers relative resonance Sandorfy scan rate shown in Figure SiioMe22 silane solution oxidation studies substituent Substituted Borazine symmetry Table TB(a theoretical Through-Bond total energy values voltages wavefunction Weinhold Wurtz coupling