Eamonn F. Healy scite author profile

A general method is described for the location of transition states in reaction mechanisms. Transition states for unimolecular and bimolecular reactions can be identified. The procedure is fully automatic, once reactants and products are characterised, and no assumptions as to the geometry of the transition state or of the mechanism are necessary. Examples are given of the Cope and Claisen reactions.

show abstract

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. [Erratum to document cited in CA103(2):11627f]

Dewar¹,

Zoebisch²,

Healy³

et al. 1993

J. Am. Chem. Soc.

View full text Add to dashboard Cite

Ab initio study of the chair cope rearrangement of 1,5-hexadiene

Dewar

Healy

1987

Chemical Physics Letters

View full text Add to dashboard Cite

A docking study of l-chicoric acid with HIV-1 integrase

Healy

Sanders

King

et al. 2009

Journal of Molecular Graphics and Modelling

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Eamonn F. Healy

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Location of transition states in reaction mechanisms

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. [Erratum to document cited in CA103(2):11627f]

Ab initio study of the chair cope rearrangement of 1,5-hexadiene

A docking study of l-chicoric acid with HIV-1 integrase

Contact Info

Product

Resources

About