The effect of electron donor substitutio
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Leland C. Allen; Robert N. Belkin
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Article
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1977
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Elsevier Science
⚖ 389 KB
Dimerization energies, ED, internuclear separations, R, and directionality angles have been obtained for the electron donor substituted hydrogen bonds, HO-H\*\*+OHX, X=H, CH3, NH2, OH, and F, from ab initio -molecular orbital calculations with the 4-31G basis. The internuclear separations and direct