Find Research outputs

2006

Density functional theoretical studies of the Re-Xe bonds in Re(Cp)(CO)(PF₃)Xe and Re(Cp)(CO)₂Xe

McMaster, J., Portius, P., Ball, G. E., Rourke, J. P. & George, M. W., 23 Oct 2006, In: Organometallics. 25, 22, p. 5242-5248 7 p.

Research output: Journal Publication › Article › peer-review

10 Citations (Scopus)

Determination of complex absorbing potentials from the electron self-energy

Henderson, T. M., Fagas, G., Hyde, E. & Greer, J. C., 2006, In: Journal of Chemical Physics. 125, 24, 244104.

Research output: Journal Publication › Article › peer-review

Open Access

31 Citations (Scopus)

Exploring hyperpolarized ⁸³Kr by remotely detected NMR relaxometry

Cleveland, Z. I., Pavlovskaya, G. E., Stupic, K. F., Lenoir, C. F. & Meersmann, T., 2006, In: Journal of Chemical Physics. 124, 4, 044312.

Research output: Journal Publication › Article › peer-review

25 Citations (Scopus)

Picosecond time-resolved infrared spectroscopic investigation into electron localisation in the excited states of Re(I) polypyridyl complexes with bridging ligands

Kuimova, M. K., Gordon, K. C., Howell, S. L., Matousek, P., Parker, A. W., Sun, X. Z., Towrie, M. & George, M. W., 4 Jan 2006, In: Photochemical and Photobiological Sciences. 5, 1, p. 82-87 6 p.

Research output: Journal Publication › Article › peer-review

Open Access

10 Citations (Scopus)

Probing the binding of ligands to estrogen receptor using an empirical system

Dottorini, T. & Cozzini, P., 5 Mar 2006, In: International Journal of Quantum Chemistry. 106, 3, p. 641-646 6 p.

Research output: Journal Publication › Article › peer-review

3 Citations (Scopus)

Quantification of particle-bubble interactions using atomic force microscopy: A review

Johnson, D. J., Miles, N. J. & Hilal, N., 30 Nov 2006, In: Advances in Colloid and Interface Science. 127, 2, p. 67-81 15 p.

Research output: Journal Publication › Review article › peer-review

79 Citations (Scopus)

Statistical estimates of electron correlations

Gyorffy, W., Henderson, T. M. & Greer, J. C., 2006, In: Journal of Chemical Physics. 125, 5, 054104.

Research output: Journal Publication › Article › peer-review

3 Citations (Scopus)

2005

Accurate prediction of scorpion toxin functional properties from primary structures

Tan, P. T. J., Srinivasan, K. N., Seah, S. H., Koh, J. L. Y., Tan, T. W., Ranganathan, S. & Brusic, V., Sept 2005, In: Journal of Molecular Graphics and Modelling. 24, 1, p. 17-24 8 p.

Research output: Journal Publication › Article › peer-review

14 Citations (Scopus)

A lattice Boltzmann algorithm for electro-osmotic flows in microfluidic devices

Guo, Z., Zhao, T. S. & Shi, Y., 2005, In: Journal of Chemical Physics. 122, 14, 144907.

Research output: Journal Publication › Article › peer-review

90 Citations (Scopus)

Shear testing of Al and Al-Al₄C₃ materials at elevated temperatures

Spitas, V., Besterci, M., Michelis, P. & Spitas, C., 2005, In: High Temperature Materials and Processes. 24, 3, p. 145-152 8 p.

Research output: Journal Publication › Article › peer-review

Open Access

5 Citations (Scopus)

Symmetry, delocalization, and molecular conductance

Delaney, P., Nolan, M. & Greer, J. C., 2005, In: Journal of Chemical Physics. 122, 4, 044710.

Research output: Journal Publication › Article › peer-review

Open Access

23 Citations (Scopus)

2004

Determining phase boundaries and vapour/liquid critical points in supercritical fluids: A multi-technique approach

Oag, R. M., King, P. J., Mellor, C. J., George, M. W., Ke, J., Poliakoff, M., Popov, V. K. & Bagratashvili, V. N., Aug 2004, In: Journal of Supercritical Fluids. 30, 3, p. 259-272 14 p.

Research output: Journal Publication › Article › peer-review

23 Citations (Scopus)

Dimethyl ether synthesis from syngas derived from biomass gasification and reforming

Wang, T. J., Chang, J., Zhu, J. X. & Fu, Y., Jun 2004, In: Journal of Fuel Chemistry and Technology. 32, 3, p. 297 1 p.

Research output: Journal Publication › Article › peer-review

13 Citations (Scopus)

Metallic clusters and color changes in silver-exchanged zeolites: ¹⁰⁹Ag solid state NMR and optical studies

Pavlovskaya, G. E., Horton-Garcia, C. F., Dybowski, C., Corbin, D. R. & Meersmann, T., 5 Feb 2004, In: Journal of Physical Chemistry B. 108, 5, p. 1584-1589 6 p.

Research output: Journal Publication › Article › peer-review

20 Citations (Scopus)

Quantum electronic transport in a configuration interaction basis

Delaney, P. & Greer, J. C., 20 Dec 2004, In: International Journal of Quantum Chemistry. 100, 6, p. 1163-1169 7 p.

Research output: Journal Publication › Article › peer-review

Open Access

20 Citations (Scopus)

Reversible Nonlinear Conduction in High-Density Polyethylene/Acetylene Carbon Black Composites at Various Ambient Temperatures

Song, Y., Zheng, Q. & Yi, X. S., 1 Apr 2004, In: Journal of Polymer Science, Part B: Polymer Physics. 42, 7, p. 1212-1217 6 p.

Research output: Journal Publication › Article › peer-review

Open Access

18 Citations (Scopus)

2003

Computer model for recognition of functional transcription start sites in RNA polymerase II promoters of vertebrates

Bajic, V. B., Seah, S. H., Chong, A., Krishnan, S. P. T., Koh, J. L. Y. & Brusic, V., Mar 2003, In: Journal of Molecular Graphics and Modelling. 21, 5, p. 323-332 10 p.

Research output: Journal Publication › Article › peer-review

51 Citations (Scopus)

Detection of bacterial contaminated milk by means of a quartz crystal microbalance based electronic nose

Ali, Z., O'Hare, W. T. & Theaker, B. J., 2003, In: Journal of Thermal Analysis and Calorimetry. 71, 1, p. 155-161 7 p.

Research output: Journal Publication › Article › peer-review

35 Citations (Scopus)

Further time-resolved spectroscopic investigations on the intramolecular charge transfer state of 4-dimethylaminobenzonitrile (DMABN) and its derivatives, 4-diethylaminobenzonitrile (DEABN) and 4-dimethylamino-3,5-dimethylbenzonitrile (TMABN)

Kwok, W. M., Ma, C., George, M. W., Grills, D. C., Matousek, P., Parker, A. W., Phillips, D., Toner, W. T. & Towrie, M., 15 Mar 2003, In: Physical Chemistry Chemical Physics. 5, 6, p. 1043-1050 8 p.

Research output: Journal Publication › Article › peer-review

39 Citations (Scopus)

Pt^II Diimine Chromophores with Perfluorinated Thiolate Ligands: Nature and Dynamics of the Charge-Transfer-to-Diimine Lowest Excited State

Weinstein, J. A., Blake, A. J., Davies, E. S., Davis, A. L., George, M. W., Grills, D. C., Lileev, I. V., Maksimov, A. M., Matousek, P., Mel'Nikov, M. Y., Parker, A. W., Platonov, V. E., Towrie, M., Wilson, C. & Zheligovskaya, N. N., 3 Nov 2003, In: Inorganic Chemistry. 42, 22, p. 7077-7085 9 p.

Research output: Journal Publication › Article › peer-review

31 Citations (Scopus)

Rhodium-catalyzed hydroformylation of alkenes using in situ high-pressure IR and polymer matrix techniques

Zhang, J., Poliakoff, M. & George, M. W., 14 Apr 2003, In: Organometallics. 22, 8, p. 1612-1618 7 p.

Research output: Journal Publication › Article › peer-review

33 Citations (Scopus)

Spin-exchange optical pumping of high-density xenon-129

Mortuza, M. G., Anala, S., Pavlovskaya, G. E., Dieken, T. J. & Meersmann, T., 22 Jan 2003, In: Journal of Chemical Physics. 118, 4, p. 1581-1584 4 p.

Research output: Journal Publication › Article › peer-review

48 Citations (Scopus)

Study of the reaction of Rh(acac)(CO)₂ with alkenes in polyethylene films under high-pressure hydrogen and the Rh-catalysed hydrogenation of alkenes

Zhang, J., Sun, X. Z., Poliakoff, M. & George, M. W., 15 Jul 2003, In: Journal of Organometallic Chemistry. 678, 1-2, p. 128-133 6 p.

Research output: Journal Publication › Article › peer-review

24 Citations (Scopus)

The effect of sodium caseinate concentration and processing conditions on bubble sizes and their break-up and coalescence in turbulent, batch air/aqueous dispersions at atmospheric and elevated pressures

Hu, B., Nienow, A. W. & Pacek, A. W., 1 Sept 2003, In: Colloids and Surfaces B: Biointerfaces. 31, 1-4, p. 3-11 9 p.

Research output: Journal Publication › Article › peer-review

21 Citations (Scopus)

The photophysics of fac-[Re(CO)₃(dppz)(py)]⁺ in CH₃CN: A comparative picosecond flash photolysis, transient infrared, transient resonance Raman and density functional theoretical study

Dyer, J., Blau, W. J., Coates, C. G., Creely, C. M., Gavey, J. D., George, M. W., Grills, D. C., Hudson, S., Kelly, J. M., Matousek, P., McGarvey, J. J., McMaster, J., Parker, A. W., Towrie, M. & Weinstein, J. A., May 2003, In: Photochemical and Photobiological Sciences. 2, 5, p. 542-554 13 p.

Research output: Journal Publication › Article › peer-review

96 Citations (Scopus)

2002

Direct observation of competitive ultrafast CO dissociation and relaxation of an MLCT excited state: Picosecond time-resolved infrared spectroscopic study of [Cr(CO)₄(2,2′-bipyridine)]

Farrell, I. R., Matousek, P., Towrie, M., Parker, A. W., Grills, D. C., George, M. W. & Vlček, A., 26 Aug 2002, In: Inorganic Chemistry. 41, 17, p. 4318-4323 6 p.

Research output: Journal Publication › Article › peer-review

45 Citations (Scopus)

How does the critical point change during the hydrogenation of propene in supercritical carbon dioxide?

Ke, J., George, M. W., Poliakoff, M., Han, B. & Yan, H., 2 May 2002, In: Journal of Physical Chemistry B. 106, 17, p. 4496-4502 7 p.

Research output: Journal Publication › Article › peer-review

17 Citations (Scopus)

Interactions between thiol molecular linkers and the Au₁₃ nanoparticle

Larsson, J. A., Nolan, M. & Greer, J. C., 13 Jun 2002, In: Journal of Physical Chemistry B. 106, 23, p. 5931-5937 7 p.

Research output: Journal Publication › Article › peer-review

80 Citations (Scopus)

Phosphorous trapped within buckminsterfullerene

Larsson, J. A., Greer, J. C., Harneit, W. & Weidinger, A., 8 May 2002, In: Journal of Chemical Physics. 116, 18, p. 7849-7854 6 p.

Research output: Journal Publication › Article › peer-review

50 Citations (Scopus)

Structural and electronic properties of endohedral phosphorus fullerene P@C₆₀: An off-centre displacement of P inside the cage

Larsson, J. A. & Greer, J. C., 10 Nov 2002, In: Molecular Physics. 100, 21, p. 3475-3477 3 p.

Research output: Journal Publication › Comment/debate

2 Citations (Scopus)

2001

Acoustic measurements of critical points for four-component mixtures in hydroformylation reactions in carbon dioxide

Ke, J., Han, B., George, M. W., Yan, H. & Poliakoff, M., 30 Jul 2001, In: Fluid Phase Equilibria. 185, 1-2, p. 327-337 11 p.

Research output: Journal Publication › Article › peer-review

9 Citations (Scopus)

Basis set study for the calculation of electronic excitations using Monte Carlo configuration interaction

Larsson, J. A., Tong, L., Cheng, T., Nolan, M. & Greer, J. C., Jan 2001, In: Journal of Chemical Physics. 114, 1, p. 15-22 8 p.

Research output: Journal Publication › Article › peer-review

8 Citations (Scopus)

Efficient discovery of immune response targets by cyclical refinement of QSAR models of peptide binding

Brusic, V., Bucci, K., Schönbach, C., Petrovsky, N., Zeleznikow, J. & Kazura, J. W., 2001, In: Journal of Molecular Graphics and Modelling. 19, 5, p. 405-411 7 p.

Research output: Journal Publication › Article › peer-review

35 Citations (Scopus)

Impact of electron-electron cusp on configuration interaction energies

Prendergast, D., Nolan, M., Filippi, C., Fahy, S. & Greer, J. C., 22 Jul 2001, In: Journal of Chemical Physics. 115, 4, p. 1626-1634 9 p.

Research output: Journal Publication › Article › peer-review

Open Access

40 Citations (Scopus)

Photochemistry of [CpMo(CO)₃]₂ (Cp = η⁵-C₅H₅) and [CpFe(CO)₂]₂ (Cp = η⁵-C₅Me₅) in supercritical CO₂: A fast time-resolved infrared spectroscopic study

Sun, X. Z., Nikiforov, S. M., Dedieu, A. & George, M. W., 16 Apr 2001, In: Organometallics. 20, 8, p. 1515-1520 6 p.

Research output: Journal Publication › Article › peer-review

12 Citations (Scopus)

Photophysics of diimine platinum(II) bis-acetylide complexes

Whittle, C. E., Weinstein, J. A., George, M. W. & Schanze, K. S., 30 Jul 2001, In: Inorganic Chemistry. 40, 16, p. 4053-4062 10 p.

Research output: Journal Publication › Article › peer-review

334 Citations (Scopus)

Reversible nonlinear conduction behavior for high-density polyethylene/graphite powder composites near the percolation threshold

Zheng, Q., Song, Y., Wu, G. & Yi, X., 15 Nov 2001, In: Journal of Polymer Science, Part B: Polymer Physics. 39, 22, p. 2833-2842 10 p.

Research output: Journal Publication › Article › peer-review

29 Citations (Scopus)

Study on intercalation and exfoliation behavior of organoclays in epoxy resin

Lü, J., Ke, Y., Qi, Z. & Yi, X. S., 1 Jan 2001, In: Journal of Polymer Science, Part B: Polymer Physics. 39, 1, p. 115-120 6 p.

Research output: Journal Publication › Article › peer-review

120 Citations (Scopus)

2000

An Investigation into the Reactivity of Organometallic Noble Gas Complexes: A Time-Resolved Infrared Study in Supercritical Noble Gas and Alkane Solution at Room Temperature

Grills, D. C., Sun, X. Z., Childs, G. I. & George, M. W., 11 May 2000, In: Journal of Physical Chemistry A. 104, 18, p. 4300-4307 8 p.

Research output: Journal Publication › Article › peer-review

37 Citations (Scopus)

Anomalous reflection of water surface during laser ablation

Nikiforov, S. M., Alimpiev, S. S., George, M. W., Sartakov, B. G. & Simanovsky, Y. O., 1 Aug 2000, In: Optics Communications. 182, 1-3, p. 17-24 8 p.

Research output: Journal Publication › Article › peer-review

6 Citations (Scopus)

Electric self-heating behavior of graphite-filled high-density polyethylene composites

Song, Y., Yi, P., Zheng, Q. & Yi, X. S., 1 Jul 2000, In: Journal of Polymer Science, Part B: Polymer Physics. 38, 13, p. 1756-1763 8 p.

Research output: Journal Publication › Article › peer-review

34 Citations (Scopus)

Exploring single-file diffusion in one-dimensional nanochannels by laser-polarized ¹²⁹Xe NMR spectroscopy

Meersmann, T., Logan, J. W., Simonutti, R., Caldarelli, S., Comotti, A., Sozzani, P., Kaiser, L. G. & Pines, A., 21 Dec 2000, In: Journal of Physical Chemistry A. 104, 50, p. 11669-11670 2 p.

Research output: Journal Publication › Article › peer-review

122 Citations (Scopus)

Intensified membrane filtration with corrugated membranes

Scott, K., Mahmood, A. J., Jachuck, R. J. & Hu, B., 10 Jul 2000, In: Journal of Membrane Science. 173, 1, p. 1-16 16 p.

Research output: Journal Publication › Article › peer-review

76 Citations (Scopus)

Mechanistic study of the photofragmentation of the clusters [Os₃(CO)₁₀(diene)] (diene = cis- 1,3-butadiene, 1,3-cyclohexadiene): Direct observation of the open-triangle primary photoproduct with nanosecond time-resolved infrared and UV-Vis spectroscopy

Bakker, M. J., Vergeer, F. W., Hartl, F., Jina, O. S., Sun, X. Z. & George, M. W., 30 Apr 2000, In: Inorganica Chimica Acta. 300-302, p. 597-603 7 p.

Research output: Journal Publication › Article › peer-review

8 Citations (Scopus)

Numerical simulation on the rich/lean pulverized coal burner

Xia, Z., Zhang, X., Fan, J. & Cen, K., Aug 2000, In: Ranshao Kexue Yu Jishu/Journal of Combustion Science and Technology. 6, 3, p. 214-217 4 p.

Research output: Journal Publication › Article › peer-review

3 Citations (Scopus)

The atomic nature of endohedrally encapsulated nitrogen N@C ₆₀ studied by density functional and Hartree-Fock methods

Greer, J. C., 25 Aug 2000, In: Chemical Physics Letters. 326, 5-6, p. 567-572 6 p.

Research output: Journal Publication › Article › peer-review

61 Citations (Scopus)

Time dependence of piezoresistance for the conductor-filled polymer composites

Zhang, X. W., Pan, Y., Zheng, Q. & Yi, X. S., 1 Nov 2000, In: Journal of Polymer Science, Part B: Polymer Physics. 38, 21, p. 2739-2749 11 p.

Research output: Journal Publication › Article › peer-review

327 Citations (Scopus)

1999

Effect of particle shape on crossflow filtration flux

Connell, H., Zhu, J. & Bassi, A., 3 Feb 1999, In: Journal of Membrane Science. 153, 1, p. 121-139 19 p.

Research output: Journal Publication › Article › peer-review

15 Citations (Scopus)

Electronic correlation energy in linear and cyclic carbon tetramers

Greer, J. C., 11 Jun 1999, In: Chemical Physics Letters. 306, 3-4, p. 197-201 5 p.

Research output: Journal Publication › Article › peer-review

3 Citations (Scopus)

Gas-sensing system using an array of coated quartz crystal microbalances with a fuzzy inference system

Ali, Z., O'Hare, W. T., Sarkodie-Gyan, T. & Theaker, B. J., 1999, In: Journal of Thermal Analysis and Calorimetry. 55, 2, p. 371-381 11 p.

Research output: Journal Publication › Article › peer-review

10 Citations (Scopus)

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