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- W2024679091 abstract "With a and b as overlapping atomic orbitals to form the A–B bonding molecular orbital ψab = a + kb, it is deduced that for k ≠ 0, 1, or ∞, either the A atom or the B atom in the one-electron bond valence bond structure (A · B) exhibits increased-valence or electronic hypervalence, namely its valence exceeds unity. The result is illustrated using the results of STO-6G valence bond calculations for the one-electron bond of LiH+ and an excited state for H2CN. Valencies for the ground-states of H2+, H2, and H2− are also considered." @default.
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- W2024679091 date "2005-01-01" @default.
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- W2024679091 title "Increased-Valence or Electronic Hypervalence for a Diatomic One-Electron Bond" @default.
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- W2024679091 doi "https://doi.org/10.1071/ch05180" @default.
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