An N‐Heterocyclic‐Carbene‐Derived Distonic Radical Cation

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EasySpin, a comprehensive software package for spectral simulation and analysis in EPR.

Stefan Stoll, Arthur Schweiger (2006)

EasySpin, a computational package for spectral simulation and analysis in EPR, is described. It is based on Matlab, a commercial technical computation software. EasySpin provides extensive EPR-related functionality, ranging from elementary spin physics to data analysis. In addition, it provides routines for the simulation of liquid- and solid-state EPR and ENDOR spectra. These simulation functions are built on a series of novel algorithms that enhance scope, speed and accuracy of spectral simulations. Spin systems with an arbitrary number of electron and nuclear spins are supported. The structure of the toolbox as well as the theoretical background underlying its simulation functionality are presented, and some illustrative examples are given.

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Chemical Redox Agents for Organometallic Chemistry.

Neil Connelly, William Geiger (1996)

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A multicenter numerical integration scheme for polyatomic molecules

A. Becke (1988)

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Author and article information

Contributors

Shuting Feng: (View ORCID Profile)

Jeffrey Lopez: (View ORCID Profile)

Jeremiah A. Johnson: (View ORCID Profile)

Journal

Title: Angewandte Chemie International Edition

Abbreviated Title: Angew. Chem. Int. Ed.

Publisher: Wiley

ISSN (Print): 1433-7851

ISSN (Electronic): 1521-3773

Publication date Created: March 02 2020

Publication date (Electronic): January 30 2020

Publication date (Print): March 02 2020

Volume: 59

Issue: 10

Pages: 3952-3955

Affiliations

[1 ]Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA

[2 ]Department of Chemical Engineering Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA

[3 ]Research Laboratory of Electronics Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA

[4 ]Departments of Mechanical Engineering and Materials Science and Engineering Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA