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Molecular mechanics calculations (MM3) on alkyl iodides (1994)

Zhou, Xuefeng ; Allinger, Norman L.

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 7 (1994), S. 420-430

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ISSN: 0894-3230

Keywords: Organic Chemistry ; Physical Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Notes: The MM3 force field has been extended to cover alkyl iodides. Structures, vibrational spectra and heats of formation have been well fitted to available experimental data. The experimental and ab initio conformational relationships are also satisfactorily reproduced.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/poc.610070806

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