Quantum scattering calculations on chemical reactions SC Althorpe, DC Clary
Annual review of physical chemistry 54 (1), 493-529, 2003
442 2003 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
347 2016 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
316 2009 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
211 2002 Theoretical Study of Geometric Phase Effects in the Hydrogen-Exchange Reaction JC Juanes-Marcos, SC Althorpe, E Wrede
SCIENCE 5738, 1227, 2005
188 2005 Quantum wavepacket method for state-to-state reactive cross sections SC Althorpe
The Journal of Chemical Physics 114 (4), 1601-1616, 2001
180 2001 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
143 2013 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
140 2015 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
136 2015 Ring-polymer instanton method for calculating tunneling splittings JO Richardson, SC Althorpe
The Journal of chemical physics 134 (5), 2011
130 2011 Instanton calculations of tunneling splittings for water dimer and trimer JO Richardson, SC Althorpe, DJ Wales
The Journal of chemical physics 135 (12), 2011
107 2011 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
106 2005 On the equivalence of two commonly used forms of semiclassical instanton theory SC Althorpe
The Journal of chemical physics 134 (11), 2011
99 2011 Calculation of the intermolecular bound states for water dimer SC Althorpe, DC Clary
The Journal of chemical physics 101 (5), 3603-3609, 1994
91 1994 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
89 2006 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
72 1991 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
70 2013 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
67 2004 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
67 1999 Non-equilibrium dynamics from RPMD and CMD R Welsch, K Song, Q Shi, SC Althorpe, TF Miller
The Journal of Chemical Physics 145 (20), 2016
65 2016