| |
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Zhang, Hong and Smith, Sean C. (2003) A comparative study of iterative Chebyshev and Lanczos implementations of the boundary inhomogeneity method for quantum scattering. Journal of Theoretical and Computational Chemistry, 2 4: 563-571.
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25 |
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9
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|
Zhang, H. and Smith, S. C. (2001) A comparison of low-storage strategies for spectral analysis in dissipative systems: filter diagonalisation in the Lanczos representation and harmonic inversion of the Chebychev-order-domain autocorrelation function. Chemical Physics Letters, 347 1-3: 211-219.
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22 |
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13
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Zhang, H. and Smith, S. C. (2001) Calculation of product state distributions from resonance decay via Lanczos subspace filter diagonalization: Application to HO2. Journal of Chemical Physics, 115 13: 5751-5758.
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13 |
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22
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Zhang, H. and Smith, S. C. (2002) Calculation of resonances and product state distributions for the unimolecular dissociation of H2S. Journal of Physical Chemistry A, 106 25: 6129-6136.
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10 |
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7
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|
Zhang, H. and Smith, S. C. (2002) Chebyshev real wave packet propagation: H+O-2 (J=0) state-to-state reactive scattering calculations. Journal of Chemical Physics, 117 11: 5174-5182.
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121 |
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16
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Zhang, H. and Smith, S. C. (2004) Converged quantum calculations of HO2 bound states and resonances for J=6 and 10. Journal of Chemical Physics, 120 20: 9583-9593.
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28 |
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10
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|
Zhang, H. and Smith, S. C. (2002) Efficient time-independent wave packet scattering calculations within a Lanczos subspace: H+O-2 (J=0) state-to-state reaction probabilities. Journal of Chemical Physics, 116 6: 2354-2360.
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20 |
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22
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Zhang, H. and Smith, S. C. (2004) Full S matrix calculation via a single real-symmetric Lanczos recursion: The Lanczos artificial boundary inhomogeneity method. Journal of Chemical Physics, 120 3: 1161-1163.
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27 |
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8
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|
Zhang, Hong, Smith, Sean C., Nanbu, Shinkoh and Nakamura, Hiroki (2006) HOCl ro-vibrational bound-state calculations for nonzero total angular momentum. Journal of Physical Chemistry A, 110 16: 5468-5474.
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21 |
|
2
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|
Zhang, Hong and Smith, Sean C. (2006) HO2 Ro-vibrational bound-state calculations for large angular momentum: J=30, 40, and 50. Journal of Physical Chemistry A, 110 9: 3246-3253.
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30 |
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3
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|
Zhang, H. and Smith, S. C. (2004) Iterative quantum computations of HO2 bound states and resonances for J=4 and 5. Physical Chemistry Chemical Physics, 6 17: 4240-4246.
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28 |
|
7
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|
Zhang, H. and Smith, S. C. (2001) Lanczos subspace filter diagonalization: Homogeneous recursive filtering and a low-storage method for the calculation of matrix elements. Physical Chemistry Chemical Physics, 3 12: 2282-2288.
|
107 |
|
30
|
|
Zhang, H. and Smith, S. C. (2002) Lanczos subspace time-independent wave packet calculations of S(D-1)+H-2 reactive scattering. Journal of Physical Chemistry A, 106 25: 6137-6142.
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9 |
|
8
|
|
Wang, Sufan and Smith, Sean C. (2006) Leading coordinate analysis of reaction pathways in proton chain transfer: Application to a two-proton transfer model for the green fluorescent protein. Chemical Physics, 326 1: 204-209.
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10 |
|
2
|
|
Wang, Sufan and Smith, Sean C. (2006) Mechanistic aspects of proton chain transfer: A computational study for the green fluorescent protein chromophore. Journal of Physical Chemistry B, 110 10: 5084-5093.
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9 |
|
5
|
|
Zhang, H. and Smith, S. C. (2003) Quantum Dynamical Characterization of Unimolecular Resonances. Physchemcomm, 6 4: 12-20.
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12 |
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16
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|
Zhang, Hong and Smith, Sean C. (2004) Recent developments in the quantum dynamical characterization of unimolecular resonances. Physical Chemistry Chemical Physics, 6 : 884-894.
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6 |
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2
|
|
Du, A. J,, Smith, Sean C. and Lu, G. Q. (2006) Role of charge in destabilizing AlH4 and BH4 complex anions for hydrogen storage applications: Ab initio density functional calculations. Physical Review B, 74 19: 193405-1-193405-4.
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46 |
|
23
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|
Zhang, H. and Smith, S. C. (2005) Symmetry contaminations in reactive scattering through long-lived collision complexes. Chemical Physics, 308 3: 297-304.
|
12 |
|
|
|
Wilmann, P. G., Battad, J., Beddoe, T., Olsen, S., Smith, S. C., Dove, S., Devenish, R. J., Rossjohn, J. and Prescott, M. (2006) The 2.0 angstrom crystal structure of a pocilloporin at pH 3.5: The structural basis for the linkage between color transition and halide binding. Photochemistry And Photobiology, 82 2: 359-366.
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21 |
|
3
|
|
Zhang, H. and Smith, S. C. (2005) Unimolecular Rovibrational Bound and Resonance States for Large Angular Momentum: J=20 Calculations for HO2. Journal of Chemical Physics, 123 1: 014308-1-014308-9.
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12 |
|
2
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