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Stuart Althorpe
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Cited by
Year
Quantum scattering calculations on chemical reactions
SC Althorpe, DC Clary
Annual review of physical chemistry 54 (1), 493-529, 2003
4692003
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
JO Richardson, C Pérez, S Lobsiger, AA Reid, B Temelso, GC Shields, ...
Science 351 (6279), 1310-1313, 2016
3872016
Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory
JO Richardson, SC Althorpe
The Journal of chemical physics 131 (21), 2009
3422009
Observation and interpretation of a time-delayed mechanism in the hydrogen exchange reaction
SC Althorpe, F Fernández-Alonso, BD Bean, JD Ayers, AE Pomerantz, ...
Nature 416 (6876), 67-70, 2002
2182002
Theoretical Study of Geometric Phase Effects in the Hydrogen-Exchange Reaction
JC Juanes-Marcos, SC Althorpe, E Wrede
SCIENCE 5738, 1227, 2005
2032005
Quantum wavepacket method for state-to-state reactive cross sections
SC Althorpe
The Journal of Chemical Physics 114 (4), 1601-1616, 2001
1892001
Derivation of a true (t→ 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory
TJH Hele, SC Althorpe
The Journal of chemical physics 138 (8), 2013
1482013
Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics
TJH Hele, MJ Willatt, A Muolo, SC Althorpe
The Journal of Chemical Physics 142 (19), 2015
1452015
Boltzmann-conserving classical dynamics in quantum time-correlation functions:“Matsubara dynamics”
TJH Hele, MJ Willatt, A Muolo, SC Althorpe
The Journal of Chemical Physics 142 (13), 2015
1452015
Ring-polymer instanton method for calculating tunneling splittings
JO Richardson, SC Althorpe
The Journal of chemical physics 134 (5), 2011
1442011
Instanton calculations of tunneling splittings for water dimer and trimer
JO Richardson, SC Althorpe, DJ Wales
The Journal of chemical physics 135 (12), 2011
1182011
Geometric phase effects in the H+ H2 reaction: Quantum wave-packet calculations of integral and differential cross sections
JC Juanes-Marcos, SC Althorpe
The Journal of chemical physics 122 (20), 2005
1102005
On the equivalence of two commonly used forms of semiclassical instanton theory
SC Althorpe
The Journal of chemical physics 134 (11), 2011
1012011
General explanation of geometric phase effects in reactive systems: Unwinding the nuclear wave function using simple topology
SC Althorpe
The Journal of chemical physics 124 (8), 2006
952006
Calculation of the intermolecular bound states for water dimer
SC Althorpe, DC Clary
The Journal of chemical physics 101 (5), 3603-3609, 1994
911994
Derivation of a true (t→ 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing
SC Althorpe, TJH Hele
The Journal of chemical physics 139 (8), 2013
712013
Investigation of terahertz vibration–rotation tunneling spectra for the water octamer
JO Richardson, DJ Wales, SC Althorpe, RP McLaughlin, MR Viant, O Shih, ...
The Journal of Physical Chemistry A 117 (32), 6960-6966, 2013
712013
Quantum tunneling rates of gas-phase reactions from on-the-fly instanton calculations
AN Beyer, JO Richardson, PJ Knowles, J Rommel, SC Althorpe
The Journal of Physical Chemistry Letters 7 (21), 4374-4379, 2016
702016
Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies
F Bouakline, SC Althorpe, D Peláez Ruiz
The Journal of chemical physics 128 (12), 2008
702008
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for H+ D2→ HD (ν′= 3, j′)+ D
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, ...
The Journal of chemical physics 120 (7), 3244-3254, 2004
702004
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Articles 1–20