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- Currently displaying 41 - 60 of 114 publications
On the uniqueness of t → 0+ quantum transition-state theory
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4819077)
A Chebyshev method for state-to-state reactive scattering using reactant-product decoupling: OH + H2 → H2O + H
Journal of Chemical Physics
(2013)
139
(doi: 10.1063/1.4817241)
Disagreement between theory and experiment grows with increasing rotational excitation of HD(v′, j′) product for the H + D 2 reaction
Journal of Chemical Physics
(2013)
138
094310
(doi: 10.1063/1.4793557)
Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory
J Chem Phys
(2013)
138
084108
(doi: 10.1063/1.4792697)
Investigation of terahertz vibration-rotation tunneling spectra for the water octamer.
Journal of Physical Chemistry A
(2013)
117
6960
(doi: 10.1021/jp311306a)
Simultaneous Measurement of Reactive and Inelastic Scattering: Differential Cross Section of the H plus HD → HD(v′, j′) + H Reaction
Zeitschrift für Physikalische Chemie
(2013)
227
1281
(doi: 10.1524/zpch.2013.0407)
A state-to-state dynamical study of the Br + H2 reaction: comparison of quantum and classical trajectory results.
Physical Chemistry Chemical Physics
(2012)
14
13067
(doi: 10.1039/c2cp41825h)
Seemingly anomalous angular distributions in H + Dâ‚‚ reactive scattering.
Science (New York, N.Y.)
(2012)
336
1687
(doi: 10.1126/science.1221329)
Improved free-energy interpolation scheme for obtaining gas-phase reaction rates from ring-polymer molecular dynamics
Molecular Physics
(2012)
110
875
(doi: 10.1080/00268976.2012.666574)
Instanton calculations of tunneling splittings for water dimer and trimer
The Journal of Chemical Physics
(2011)
135
124109
(doi: 10.1063/1.3640429)
On the equivalence of two commonly used forms of semiclassical instanton theory
The Journal of Chemical Physics
(2011)
134
114104
(doi: 10.1063/1.3563045)
Symmetry Analysis of Geometric-Phase Effects in Quantum Dynamics
(2011)
17
155
(doi: 10.1142/9789814313452_0005)
Ring-polymer instanton method for calculating tunneling splittings.
The Journal of Chemical Physics
(2011)
134
054109
(doi: 10.1063/1.3530589)
State-to-state reactive scattering in six dimensions using reactant–product decoupling: OH + H2 → H2O + H (J = 0)
The Journal of chemical physics
(2011)
134
024309
(doi: 10.1063/1.3525541)
Differential cross sections for H + D2 → HD(v' = 2, j' = 0,3,6,9) + D at center-of-mass collision energies of 1.25, 1.61, and 1.97 eV.
Physical chemistry chemical physics : PCCP
(2010)
13
8175
(doi: 10.1039/c0cp02460k)
Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies: II. Quasiclassical trajectory analysis
Molecular Physics
(2010)
108
969
(doi: 10.1080/00268971003610218)
Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.
Journal of Chemical Physics
(2009)
131
214106
(doi: 10.1063/1.3267318)
Influence of the Geometric Phase and Non-Adiabatic Couplings on the Dynamics of the H+H2 Molecular System
Springer Series in Chemical Physics
(2009)
97
201
(doi: 10.1007/978-3-642-03432-9_8)
State-to-state reactive scattering using reactant-product decoupling
Physica Scripta
(2009)
80
048115
