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Professor Anderson developed a theory for bond stretching force constants in
molecules and solids as a graduate student under R. G. Parr. During his postdoctoral year
with H. Shull he extended his applications and understanding of this electron densitybased
theory. This effort continued into his postdoctoral stays with Harrison Shull and
Roald Hoffmann, culminating in his atom superposition and electron delocalization
theory for bonding (based on the Hellmann-Feynman electrostatic theory for molecular
forces). He discovered that a one-electron molecular orbital energy as given by extended
Huckel-type hamiltonians approximated well the attractive energy due to charge
redistribution accompanying bond formation. The repulsive component, due to the first
step of superimposing rigid atoms, contains the information used in his theory for force
constants. Professor Anderson and his coworkers at Case have used the ASED-MO
theory to gain an understanding of structures and reactions and electronic and vibrational
properties in the fields of catalysis, solid state and surface chemistry and
electrochemistry. The properties of doped diamond were also studied using the ASEDMO
theory.
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The Handbook of Surface Imaging and Visualizationpp.465-472, (2022)
ECS Meeting Abstractsno. 20 (2016): 1111-1111
ECS Meeting Abstractsno. 34 (2016): 1661-1661
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