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Various documents & articles referenced in recent CCL postings
CCL posting: Re: CCL: tautomerism software, 28 August 2008
Water-catalysed keto-enol tautomerization reaction path (MOPAC IRC & CAChe)
CCL posting: Re: CCL:G: problems with a transition state, 22 April 2008
Stategies for finding transition states (overview)
GuideToTransitionStateModeling.pdf
More details about finding transition states
Reaction Modeling Lab-61.pdf
(written for CAChe, but methodology is general)
CCL posting: CCL:G: UV-Vis spectra prediction, 16 April 2008
Bandwidth versus gradient slides
Gradient-bandwidth-dgallagher.ppt
Complete UV-visible presentation
UV-visible-spectra-dgallagher.pps
Other ACS & AIChE presentations
Presentations citing COSMO
therm
, etc.
http://www.cacheresearch.com/aiche.html
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