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 |