Althorpe Group

Publications

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  • Currently displaying 101 - 114 of 114 publications
Author(s)
Publication title
Journal Name
Publication year
Application of the Time-Independent Wave Packet Reactant−Product Decoupling Method to the (J = 0) Li + HF Reaction
SC Althorpe, DJ Kouri, DK Hoffman
Journal of Physical Chemistry A
(1998)
102
(doi: 10.1021/jp981992m)
Lagrange-distributed approximating-functional approach to wave-packet propagation: Application to the time-independent wave-packet reactant-product decoupling method
GW Wei, SC Althorpe, DS Zhang, DJ Kouri, DK Hoffman
Physical Review A
(1998)
57
(doi: 10.1103/PhysRevA.57.3309)
An application of distributed approximating functional-wavelets to reactive scattering
GW Wei, SC Althorpe, DJ Kouri, DK Hoffman
Journal of Chemical Physics
(1998)
108
(doi: 10.1063/1.476125)
General discussion
ER Davidson, K Morokuma, MT Nguyen, WD Allen, DC Clary, NC Handy, GC Schatz, JC Light, JM Bowman, JZH Zhang, U Manthe, JNL Connor, W Jakubetz, DE Manolopoulos, A Kuppermann, PR Taylor, JB Anderson, FJ Aoiz, JF Castillo, A Laganà, O de Aspuru, JC Tully, D Lemoine, A Dobbyn, S Mahapatra, WH Miller, B Poirier, T Stoecklin, J Hutson, DG Truhlar, GBL Nyman, F Huarte-Larrañaga, X Gimenez, SC Althorpe, GG Balint-Kurti, DJ Kouri, GJ Kroes, A Riganelli, E Goldfield, PJ Knowles, C Trindle, HF Schaefer
FARADAY DISCUSS
(1998)
110
Further partitioning of the reactant-product decoupling equations of state-to-state reactive scattering and their solution by the time-independent wave-packet method
SC Althorpe, DJ Kouri, DK Hoffman
Journal of Chemical Physics
(1997)
107
(doi: 10.1063/1.475095)
State-to-state reaction probabilities from the time-independent wavepacket reactant-product decoupling equations: application to the three-dimensional H + H2 reaction (for J = 0)
SC Althorpe, DJ Kouri, DK Hoffman
Chemical Physics Letters
(1997)
275
(doi: 10.1016/s0009-2614(97)00744-6)
A Chebyshev method for calculating state-to-state reaction probabilities from the time-independent wavepacket reactant-product decoupling equations
SC Althorpe, DJ Kouri, DK Hoffman
Journal of Chemical Physics
(1997)
106
(doi: 10.1063/1.473766)
A time-independent wavepacket approach to the (t,t')-method for treating time-dependent Hamiltonian systems
SC Althorpe, DJ Kouri, DK Hoffman, N Moiseyev
Chemical Physics
(1997)
217
(doi: 10.1016/s0301-0104(97)00062-1)
Reactant–product decoupling approach to state-resolved reactive scattering Time-independent wavepacket formulation
SC Althorpe, DJ Kouri, D K. Hoffman, DK Hoffman, JZH Zhang
Journal of the Chemical Society Faraday Transactions
(1997)
93
(doi: 10.1039/a606300d)
A new method for calculating the rovibrational states of polyatomics with application to water dimer
SC Althorpe, DC Clary
Journal of Chemical Physics
(1995)
102
(doi: 10.1063/1.469488)
Calculation of the intermolecular bound states for water dimer
SC Althorpe, DC Clary
The Journal of Chemical Physics
(1994)
101
(doi: 10.1063/1.467545)
An ab lnitio Calculation of the Low Rotation-Vibration Energies of the CO Dimer
PR Bunker, P Jensen, SC Althorpe, DC Clary
Journal of Molecular Spectroscopy
(1993)
157
(doi: 10.1006/jmsp.1993.1017)
Calculation of the far-infrared spectra for (HF)2, (HCL)2 and (HBr)2
SC Althorpe, DC Clary, PR Bunker
Chemical Physics Letters
(1991)
187
(doi: 10.1016/0009-2614(91)80264-X)
Comment on geometric phase effects in the hydrogen-exchange reaction
JC Juanes-Marcos, SC Althorpe
Faraday Discussions
127
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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