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Bond orders and valencies from ab initio wavefunctions: Application to prototypical molecules and to the characterization of solitons in polyenes
Hugo O. Villar,
Michel Dupuis
Pacific Northwest National Laboratory
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peer-review
59
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Chemical Compounds
Polyenes
Solitons
Wave functions
Molecules
methyl radical
Acetylene
Electronic properties
Charge carriers
Hydrofluoric Acid
ethylene
Defects
Water
Physics & Astronomy
solitary waves
hydrofluoric acid
acetylene
characterization
molecules
self consistent fields
ethylene
charge carriers
water
defects
electronics