Showing results (11-20 of 70) with videos related to
Sort By:
Pageof 7
The Journal of Chemical Physics|December 9, 2009
Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theoryJeremy O Richardson, Stuart C AlthorpeThe Journal of Chemical Physics|February 10, 2011
Ring-polymer instanton method for calculating tunneling splittingsJeremy O Richardson, Stuart C AlthorpeJournal of Chemical Theory and Computation|January 13, 2016
Locating Instantons in Calculations of Tunneling Splittings: The Test Case of MalonaldehydeMarko T Cvitaš, Stuart C AlthorpeAnnual Review of Physical Chemistry|March 26, 2003
Quantum scattering calculations on chemical reactionsStuart C Althorpe, David C ClaryThe Journal of Physical Chemistry. A|March 21, 2009
Quantum wave packet method for state-to-state reactive scattering calculations on AB + CD --> ABC + D reactionsMarko T Cvitas, Stuart C AlthorpeThe Journal of Chemical Physics|September 16, 2021
On the "Matsubara heating" of overtone intensities and Fermi splittingsRaz L Benson, Stuart C AlthorpeThe Journal of Chemical Physics|May 9, 2016
An alternative derivation of ring-polymer molecular dynamics transition-state theoryTimothy J H Hele, Stuart C AlthorpeThe Journal of Chemical Physics|March 8, 2013
Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theoryTimothy J H Hele, Stuart C AlthorpeThe Journal of Chemical Physics|December 10, 2008
Effect of the geometric phase on nuclear dynamics at a conical intersection: Extension of a recent topological approach from one to two coupled surfacesStuart C Althorpe, Thomas Stecher, Foudhil BouaklineThe Journal of Chemical Physics|September 7, 2013
Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossingStuart C Althorpe, Timothy J H HelePageof 7