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Stuart Althorpe
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Year
Quantum scattering calculations on chemical reactions
SC Althorpe, DC Clary
Annual review of physical chemistry 54 (1), 493-529, 2003
4442003
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
3372016
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
3012009
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
2062002
Theoretical Study of Geometric Phase Effects in the Hydrogen-Exchange Reaction
JC Juanes-Marcos, SC Althorpe, E Wrede
SCIENCE 5738, 1227, 2005
1852005
Quantum wavepacket method for state-to-state reactive cross sections
SC Althorpe
The Journal of Chemical Physics 114 (4), 1601-1616, 2001
1742001
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
1392013
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
1302015
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
1292015
Ring-polymer instanton method for calculating tunneling splittings
JO Richardson, SC Althorpe
The Journal of chemical physics 134 (5), 2011
1242011
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
1042005
Instanton calculations of tunneling splittings for water dimer and trimer
JO Richardson, SC Althorpe, DJ Wales
The Journal of chemical physics 135 (12), 2011
1012011
On the equivalence of two commonly used forms of semiclassical instanton theory
SC Althorpe
The Journal of chemical physics 134 (11), 2011
962011
Calculation of the intermolecular bound states for water dimer
SC Althorpe, DC Clary
The Journal of chemical physics 101 (5), 3603-3609, 1994
921994
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
892006
Calculation of the far-infrared spectra for (HF) 2,(HCl) 2 and (HBr) 2
SC Althorpe, DC Clary, PR Bunker
Chemical physics letters 187 (4), 345-353, 1991
731991
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
692013
Molecular alignment from femtosecond time-resolved photoelectron angular distributions: Nonperturbative calculations on NO
SC Althorpe, T Seideman
The Journal of chemical physics 110 (1), 147-155, 1999
671999
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, ...
The Journal of chemical physics 120 (7), 3244-3254, 2004
662004
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
632013
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