MO investigations on lignin model compou
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Milan Remko
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Article
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1979
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Elsevier Science
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The semiempirical PCILO method has been used to study stereochemistry of the intramolecular hydrogen bond O-H...0 in 2-methoxyphenol (guaiacol) and 2-methoxy-6-fonmyl phenol (o-vanillin). According to my calculations, the hydrogen bond in guaiacol is weak and has energy of 2.7 kJ/mole and forms a pl