Modeling Rate-Controlling Solvent Effects. The Pericyclic Meisenheimer Rearrangement of N-Propargylmorpholine N-Oxide-Reference-Cited by-同舟云学术

Modeling Rate-Controlling Solvent Effects. The Pericyclic Meisenheimer Rearrangement of N-Propargylmorpholine N-Oxide

Published:2005-04-29 Issue:20 Volume:127 Page:7615-7631
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Mucsi Zoltán¹,Szabó Anna¹,Hermecz István¹,Kucsman Árpád¹,Csizmadia Imre G.¹

Affiliation:

1. Contribution from the Department of Organic Chemistry, Eötvös Loránd University, Budapest, H-1117, Hungary, Department of Organic Chemistry, Technical and Economical University of Budapest, Budapest, H-1111, Hungary, Department of Chemistry, University of Toronto, Toronto, Ontario, Canada, M5S 3H6, and Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Szeged, H-6725, Hungary

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja042227q

Reference69 articles.

1. A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

2. Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries

3. Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications

4. The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

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