Second-order saddle dynamics in isomerization reaction
type: Item
instance of: scholarly article
title: Second-order saddle dynamics in isomerization reaction
zbMATH Open document ID: 1478.92268
DOI: 10.1134/S1560354721020027
author: Richa Rashmi
author: Komal Yadav
author: Upakarasamy Lourderaj
author: Manikandan Paranjothy
published in: Regular and Chaotic Dynamics
publication date: 2021-12-09T00:00:00Z
Mathematics Subject Classification ID: 92E99
zbMATH DE Number: 7441600
zbMATH Keywords: transition state
zbMATH Keywords: second-order saddle
zbMATH Keywords: reaction dynamics
zbMATH Keywords: RRKM
zbMATH Keywords: potential energy surface
zbMATH Keywords: wavelet transform
zbMATH Keywords: time-frequency analysis
describes a project that uses: GAUSSIAN
describes a project that uses: NWChem
MaRDI profile type: Publication
cites work: Phase-space geometry and reaction dynamics near index 2 saddles
cites work: Exploring isomerization dynamics on a potential energy surface with an index-2 saddle using Lagrangian descriptors
cites work: Transition state geometry near higher-rank saddles in phase space
cites work: \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
cites work: Time-frequency analysis of chaotic systems
cites work: Diffusion and drift in volume-preserving maps
cites work: SMALL DENOMINATORS AND PROBLEMS OF STABILITY OF MOTION IN CLASSICAL AND CELESTIAL MECHANICS
cites work: The role of normally hyperbolic invariant manifolds (NHIMS) in the context of the phase space setting for chemical reaction dynamics
full work available at URL: s1560354721020027
OpenAlex ID: W3143651794
description: scientific article; zbMATH DE number 7441600