Topography of cyclopropyl radical ring opening to allyl radical on the CASSCF(3,3) surface: Valley-ridge inflection points by Newton trajectories
type: Item
instance of: scholarly article
title: Topography of cyclopropyl radical ring opening to allyl radical on the CASSCF(3,3) surface: Valley-ridge inflection points by Newton trajectories
zbMATH Open document ID: 1306.92076
author: Wolfgang Quapp
author: Josep Maria Bofill
publication date: 2013-01-11T00:00:00Z
Mathematics Subject Classification ID: 92E10
zbMATH DE Number: 6124595
zbMATH Keywords: Valley-ridge inflection point
zbMATH Keywords: Newton trajectory
zbMATH Keywords: reaction bifurcation
zbMATH Keywords: ring opening of the cyclopropyl radical
zbMATH Keywords: disrotatory and conrotatory case
MaRDI profile type: Publication
full work available at URL: s10910-012-9995-8
OpenAlex ID: W2030452116
cites work: Newton trajectories for finding stationary points on molecular potential energy surfaces
cites work: Reaction pathways and convexity of the potential energy surface: Application of Newton trajectories
cites work: Widely Convergent Method for Finding Multiple Solutions of Simultaneous Nonlinear Equations
cites work: A mathematical framework for critical transitions: bifurcations, fast-slow systems and stochastic dynamics
DOI: 10.1007/S10910-012-9995-8
published in: Journal of Mathematical Chemistry
description: scientific article; zbMATH DE number 6124595