Some systematic errors in mindo/3 calculations
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Reference15 articles.
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2. Ground states of molecules. XXVI. MINDO/3 calculations for hydrocarbons
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4. Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
5. Evidence against strongly-bridged bromonium ion intermediates in bromocyclization reactions of 2-butene derivatives
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1. Application of Molecular Mechanics Calculations to Organic Chemistry;Topics in Stereochemistry;2007-02-26
2. AM1 study of Wolff and 1,2-hydrogen shift rearrangements of β-oxy-α-Diazo carbonyl compounds;Theoretica Chimica Acta;1996-07
3. A theoretical study of the conformers of trans- and cis-urocanic acid;Journal of Molecular Structure: THEOCHEM;1995-01
4. A study of the stable conformations of methylvinyl sulfoxide and sulfone by ab initio calculations;Journal of Molecular Structure: THEOCHEM;1992-12
5. Hydrogen bonding and rotation barriers: A comparison between MNDO and AM1 results;Journal of Molecular Structure: THEOCHEM;1988-03
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