Bond-length/Dihedral-angle and Bond-length/Bond-order Relationships for Sulphur(II)-Sulphur(II) Bonds.
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چکیده
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Bounded Analytic Bond-Order Potentials for s and p Bonds
Novel analytic bond-order potentials (BOP’s) are derived for the s and p bonds of sp-valent systems that are correctly bounded from above by unity. We show that these BOP’s allow the concept of single, double, triple, and conjugate bonds in carbon systems to be quantified, the average error compared to accurate tight-binding predictions being only 1% for the s bonds and 15% for the p bonds. Alt...
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ژورنال
عنوان ژورنال: Acta Chemica Scandinavica
سال: 1966
ISSN: 0904-213X
DOI: 10.3891/acta.chem.scand.20-1885