Find Research outputs

2011

Dietary sources of fiber intake and its association with socio-economic factors among flemish preschool children

Lin, Y., Bolca, S., Vandevijvere, S., de Keyzer, W., van Oyen, H., van Camp, J., de Backer, G., de Henauw, S. & Huybrechts, I., Mar 2011, In: International Journal of Molecular Sciences. 12, 3, p. 1836-1853 18 p.

Research output: Journal Publication › Article › peer-review

Open Access

6 Citations (Scopus)

Direct methanol fuel cells: A database-driven design procedure

Flipsen, S. F. J. & Spitas, C., 15 Oct 2011, In: Journal of Power Sources. 196, 20, p. 8472-8483 12 p.

Research output: Journal Publication › Article › peer-review

6 Citations (Scopus)

Excited state dependent electron transfer of a rhenium-dipyridophenazine complex intercalated between the base pairs of DNA: A time-resolved UV-visible and IR absorption investigation into the photophysics of fac-[Re(CO) ₃(F₂dppz)(py)]⁺ bound to either [poly(dA-dT)]₂ or [poly(dG-dC)]₂

Cao, Q., Creely, C. M., Davies, E. S., Dyer, J., Easun, T. L., Grills, D. C., McGovern, D. A., McMaster, J., Pitchford, J., Smith, J. A., Sun, X. Z., Kelly, J. M. & George, M. W., Aug 2011, In: Photochemical and Photobiological Sciences. 10, 8, p. 1355-1364 10 p.

Research output: Journal Publication › Article › peer-review

Open Access

31 Citations (Scopus)

First principles predictions of thermophysical properties of refrigerant mixtures

Oakley, M. T., Do, H., Hirst, J. D. & Wheatley, R. J., 21 Mar 2011, In: Journal of Chemical Physics. 134, 11, 114518.

Research output: Journal Publication › Article › peer-review

Open Access

5 Citations (Scopus)

Graphene-encapsulated iron microspheres on the graphene nanosheets

Guo, P., Zhu, G., Song, H., Chen, X. & Zhang, S., 21 Oct 2011, In: Physical Chemistry Chemical Physics. 13, 39, p. 17818-17824 7 p.

Research output: Journal Publication › Article › peer-review

19 Citations (Scopus)

Molecular simulation of the binary mixture of 1-1-1-2-tetrafluoroethane and carbon dioxide

Do, H., Wheatley, R. J. & Hirst, J. D., 14 Sept 2011, In: Physical Chemistry Chemical Physics. 13, 34, p. 15708-15713 6 p.

Research output: Journal Publication › Article › peer-review

4 Citations (Scopus)

Observations of interfacial population and organization of surfactants with sum frequency generation and surface tension

Rao, Y., Li, X., Lei, X., Jockusch, S., George, M. W., Turro, N. J. & Eisenthal, K. B., 23 Jun 2011, In: Journal of Physical Chemistry C. 115, 24, p. 12064-12067 4 p.

Research output: Journal Publication › Article › peer-review

23 Citations (Scopus)

Phase behaviour and conductivity study of electrolytes in supercritical hydrofluorocarbons

Bartlett, P. N., Cook, D. C., George, M. W., Ke, J., Levason, W., Reid, G., Su, W. & Zhang, W., 7 Jan 2011, In: Physical Chemistry Chemical Physics. 13, 1, p. 190-198 9 p.

Research output: Journal Publication › Article › peer-review

14 Citations (Scopus)

Photochemistry and photophysics of a Pd(II) metalloporphyrin: Re(I) tricarbonyl bipyridine molecular dyad and its activity toward the photoreduction of CO₂ to CO

Schneider, J., Vuong, K. Q., Calladine, J. A., Sun, X. Z., Whitwood, A. C., George, M. W. & Perutz, R. N., 5 Dec 2011, In: Inorganic Chemistry. 50, 23, p. 11877-11889 13 p.

Research output: Journal Publication › Article › peer-review

100 Citations (Scopus)

Photochemistry of (η⁶-arene)Cr(CO)₃ (arene = methylbenzoate, naphthalene, or phenanthrene) in n-heptane solution: Population of two excited states following 400 nm excitation as detected by picosecond time-resolved infrared spectroscopy

Clark, I. P., George, M. W., Greetham, G. M., Harvey, E. C., Long, C., Manton, J. C. & Pryce, M. T., 14 Apr 2011, In: Journal of Physical Chemistry A. 115, 14, p. 2985-2993 9 p.

Research output: Journal Publication › Article › peer-review

21 Citations (Scopus)

Rapid calculation of partition functions and free energies of fluids

Do, H., Hirst, J. D. & Wheatley, R. J., 7 Nov 2011, In: Journal of Chemical Physics. 135, 17, 174105.

Research output: Journal Publication › Article › peer-review

29 Citations (Scopus)

The La_0.95Ni_0.6Fe_0.4O₃CeO ₂ system: Phase equilibria, crystal structure of components and transport properties

Konysheva, E. & Irvine, J. T. S., Jun 2011, In: Journal of Solid State Chemistry. 184, 6, p. 1499-1504 6 p.

Research output: Journal Publication › Article › peer-review

8 Citations (Scopus)

Transient spectroscopy of dipyridophenazine metal complexes which undergo photo-induced electron transfer with DNA

Smith, J. A., George, M. W. & Kelly, J. M., Nov 2011, In: Coordination Chemistry Reviews. 255, 21-22, p. 2666-2675 10 p.

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

62 Citations (Scopus)

2010

Adsorption of long-chain alkanethiols on Au(111): A look from the substrate by high resolution x-ray photoelectron spectroscopy

Chesneau, F., Zhao, J., Shen, C., Buck, M. & Zharnikov, M., 22 Apr 2010, In: Journal of Physical Chemistry C. 114, 15, p. 7112-7119 8 p.

Research output: Journal Publication › Article › peer-review

62 Citations (Scopus)

Electronegativity and electron currents in molecular tunnel junctions

Yeriskin, I., McDermott, S., Bartlett, R. J., Fagas, G. & Greer, J. C., 9 Dec 2010, In: Journal of Physical Chemistry C. 114, 48, p. 20564-20568 5 p.

Research output: Journal Publication › Article › peer-review

5 Citations (Scopus)

Excited state dynamics and activation parameters of remarkably slow photoinduced CO loss from (η⁶-Benzene)Cr(CO)₃ in n-heptane solution: A DFT and picosecond-time-resolved infrared study

Clark, I. P., George, M. W., Greetham, G. M., Harvey, E. C., Long, C., Manton, J. C. & Pryce, M. T., 4 Nov 2010, In: Journal of Physical Chemistry A. 114, 43, p. 11425-11431 7 p.

Research output: Journal Publication › Article › peer-review

17 Citations (Scopus)

First principles models of the interactions of methane and carbon dioxide

Oakley, M. T., Do, H. & Wheatley, R. J., 25 Mar 2010, In: Fluid Phase Equilibria. 290, 1-2, p. 48-54 7 p.

Research output: Journal Publication › Article › peer-review

17 Citations (Scopus)

Gibbs ensemble Monte Carlo simulations of binary mixtures of methane, difluoromethane, and carbon dioxide

Do, H., Wheatley, R. J. & Hirst, J. D., 25 Mar 2010, In: Journal of Physical Chemistry B. 114, 11, p. 3879-3886 8 p.

Research output: Journal Publication › Article › peer-review

20 Citations (Scopus)

Infrared characterization of the guanine radical cation: Finger printing DNA damage

Parker, A. W., Lin, C. Y., George, M. W., Towrie, M. & Kuimova, M. K., 18 Mar 2010, In: Journal of Physical Chemistry B. 114, 10, p. 3660-3667 8 p.

Research output: Journal Publication › Article › peer-review

51 Citations (Scopus)

Microscopic structure of liquid 1-1-1-2-tetrafluoroethane (R134a) from Monte Carlo simulation

Do, H., Wheatley, R. J. & Hirst, J. D., 28 Oct 2010, In: Physical Chemistry Chemical Physics. 12, 40, p. 13266-13272 7 p.

Research output: Journal Publication › Article › peer-review

11 Citations (Scopus)

Phase behaviour and conductivity study on multi-component mixtures for electrodeposition in supercritical fluids

Bartlett, P. N., Cook, D. C., George, M. W., Ke, J., Levason, W., Reid, G., Su, W. & Zhang, W., 2010, In: Physical Chemistry Chemical Physics. 12, 2, p. 492-501 10 p.

Research output: Journal Publication › Article › peer-review

25 Citations (Scopus)

The electrodeposition of copper from supercritical CO₂/acetonitrile mixtures and from supercritical trifluoromethane

Cook, D., Bartlett, P. N., Zhang, W., Levason, W., Reid, G., Ke, J., Su, W., George, M. W., Wilson, J., Smith, D., Mallik, K., Barrett, E. & Sazio, P., 2010, In: Physical Chemistry Chemical Physics. 12, 37, p. 11744-11752 9 p.

Research output: Journal Publication › Article › peer-review

23 Citations (Scopus)

Ultrafast time-resolved transient infrared and resonance Raman spectroscopic study of the photo-deprotection and rearrangement reactions of p-hydroxyphenacyl caged phosphates

Cao, Q., Guan, X., George, M. W., Phillips, D. L., Ma, C., Kwok, W. M., Li, M., Du, Y., Sun, X. Z. & Xue, J., 2010, In: Faraday Discussions. 145, p. 171-183 13 p.

Research output: Journal Publication › Article › peer-review

10 Citations (Scopus)

2009

Coupling of Heck and hydrogenation reactions in a continuous compact reactor

Fan, X., Manchon, M. G., Wilson, K., Tennison, S., Kozynchenko, A., Lapkin, A. A. & Plucinski, P. K., 25 Oct 2009, In: Journal of Catalysis. 267, 2, p. 114-120 7 p.

Research output: Journal Publication › Article › peer-review

37 Citations (Scopus)

Displacement kinetics of η²-bound furan and 2,3-dihydrofuran from Mn and Cr centers: Evidence for the partial dearomatization of the furan ligand

Andreatta, J. R., Cieslinski, G. B., Batool, M., Sun, X. Z., George, M. W., Brothers, E. N., Darensbourg, D. J. & Bengali, A. A., 17 Aug 2009, In: Inorganic Chemistry. 48, 16, p. 7787-7793 7 p.

Research output: Journal Publication › Article › peer-review

13 Citations (Scopus)

Electronic conductivity of modified La_0.95Ni_0.6Fe_0.4O_3-δ perovskites

Konysheva, E. & Irvine, J. T. S., 1 Aug 2009, In: Journal of Power Sources. 193, 1, p. 175-179 5 p.

Research output: Journal Publication › Article › peer-review

13 Citations (Scopus)

Experimental and theoretical investigation into the formation and reactivity of M(Cp)(CO) ₂(CO ₂) (M ) Mn or Re) in liquid and supercritical CO ₂ and the effect of different CO ₂ coordination modes on reaction rates with CO, H ₂, and N ₂

Yang, J., N'Guessan, B. R., Dedieu, A., Grills, D. C., Sun, X. Z. & George, M. W., 8 Jun 2009, In: Organometallics. 28, 11, p. 3113-3122 10 p.

Research output: Journal Publication › Article › peer-review

12 Citations (Scopus)

Luminescence and time-resolved infrared study of dyads containing (Diimine)Ru(4,4′-diethylamido-2,2′ -bipyridine)₂ and (Diimine)Ru(CN)₄ moieties: Solvent-induced reversal of the direction of photoinduced energy-transfer

Easun, T. L., Alsindi, W. Z., Deppermann, N., Towrie, M., Ronayne, K. L., Sun, X. Z., Ward, M. D. & George, M. W., 21 Sept 2009, In: Inorganic Chemistry. 48, 18, p. 8759-8770 12 p.

Research output: Journal Publication › Article › peer-review

35 Citations (Scopus)

Total synthesis of (+)-intricarene using a biogenetically patterned pathway from (-)-bipinnatin J, involving a novel transannular [5+2] (1,3-dipolar) cycloaddition

Tang, B., Bray, C. D. & Pattenden, G., 2009, In: Organic and Biomolecular Chemistry. 7, 21, p. 4448-4457 10 p.

Research output: Journal Publication › Article › peer-review

51 Citations (Scopus)

Tunnel currents across silane diamines/dithiols and alkane diamines/dithiols: A comparative computational study

McDermott, S., George, C. B., Fagas, G., Greer, J. C. & Ratner, M. A., 15 Jan 2009, In: Journal of Physical Chemistry C. 113, 2, p. 744-750 7 p.

Research output: Journal Publication › Article › peer-review

40 Citations (Scopus)

Unusually slow photodissociation of CO from (η⁶-C ₆H₆)Cr(CO)₃ (M= Cr or Mo): A time-resolved Infrared, Matrix Isolation, and DFT investigation

Alamiry, M. A. H., Boyle, N. M., Brookes, C. M., George, M. W., Conor, L., Portius, P., Pryce, M. T., Ronayne, K. L., Sun, X. Z., Towrie, M. & Khuong, Q. V., 9 Mar 2009, In: Organometallics. 28, 5, p. 1461-1468 8 p.

Research output: Journal Publication › Article › peer-review

35 Citations (Scopus)

2008

Binary-collision-induced longitudinal relaxation in gas-phase ⁸³Kr

Cleveland, Z. I. & Meersmann, T., 2008, In: Journal of Chemical Physics. 129, 24, 244304.

Research output: Journal Publication › Article › peer-review

7 Citations (Scopus)

Density-independent contributions to longitudinal relaxation in ⁸³Kr

Cleveland, Z. I. & Meersmann, T., 14 Jul 2008, In: ChemPhysChem. 9, 10, p. 1375-1379 5 p.

Research output: Journal Publication › Article › peer-review

14 Citations (Scopus)

Electronic current density expanded in natural orbitals

Greer, J. C., Jun 2008, In: Molecular Physics. 106, 11, p. 1363-1367 5 p.

Research output: Journal Publication › Article › peer-review

Open Access

5 Citations (Scopus)

Enhanced enantioselectivity of chiral hydrogenation catalysts after immobilisation in thin films of ionic liquid

Fow, K. L., Jaenicke, S., Müller, T. E. & Sievers, C., 18 Jan 2008, In: Journal of Molecular Catalysis A: Chemical. 279, 2, p. 239-247 9 p.

Research output: Journal Publication › Article › peer-review

32 Citations (Scopus)

Formation and reactivity of organometallic alkane complexes

Cowan, A. J. & George, M. W., Dec 2008, In: Coordination Chemistry Reviews. 252, 23-24, p. 2504-2511 8 p.

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

66 Citations (Scopus)

Guanidinium chloride molecular diffusion in aqueous and mixed water-ethanol solutions

Gannon, G., Larsson, J. A., Greer, J. C. & Thompson, D., 31 Jul 2008, In: Journal of Physical Chemistry B. 112, 30, p. 8906-8911 6 p.

Research output: Journal Publication › Article › peer-review

17 Citations (Scopus)

Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2 O compared to full configuration interaction calculations

Györffy, W., Bartlett, R. J. & Greer, J. C., 2008, In: Journal of Chemical Physics. 129, 6, 064103.

Research output: Journal Publication › Article › peer-review

38 Citations (Scopus)

Photoinduced energy transfer in a conformationally flexible Re(I)/Ru(II) dyad probed by time-resolved infrared spectroscopy: Effects of conformation and spatial localization of excited states

Easun, T. L., Alsindi, W. Z., Towrie, M., Ronayne, K. L., Sun, X. Z., Ward, M. D. & George, M. W., 16 Jun 2008, In: Inorganic Chemistry. 47, 12, p. 5071-5078 8 p.

Research output: Journal Publication › Article › peer-review

37 Citations (Scopus)

Photoinduced Se-C insertion following photolysis of (η⁵- C₄H₄Se)Cr(CO)₃. A picosecond and nanosecond time-resolved infrared, matrix isolation, and DFT investigation

Brennan, P., George, M. W., Jina, O. S., Long, C., McKenna, J., Pryce, M. T., Sun, X. Z. & Vuong, K. Q., 11 Aug 2008, In: Organometallics. 27, 15, p. 3671-3680 10 p.

Research output: Journal Publication › Article › peer-review

21 Citations (Scopus)

Probing the mechanism of carbon-hydrogen bond activation by photochemically generated hydridotris(pyrazolyl)borato carbonyl rhodium complexes: New experimental and theoretical investigations

Blake, A. J., George, M. W., Hall, M. B., McMaster, J., Portius, P., Sun, X. Z., Towrie, M., Webster, C. E., Wilson, C. & Zarić, S. D., 28 Jan 2008, In: Organometallics. 27, 2, p. 189-201 13 p.

Research output: Journal Publication › Article › peer-review

29 Citations (Scopus)

Probing the solvent dependent photophysics of fac-[Re(CO) ₃(dppz-X₂)Cl] (dppz-X₂ = 11,12-X ₂-dipyrido[3,2-a:2′,3′-c]phenazine); X = CH₃, H, F, Cl, CF₃

Kuimova, M. K., Alsindi, W. Z., Blake, A. J., Davies, E. S., Lampus, D. J., Matousek, P., McMaster, J., Parker, A. W., Towrie, M., Sun, X. Z., Wilson, C. & George, M. W., 3 Nov 2008, In: Inorganic Chemistry. 47, 21, p. 9857-9869 13 p.

Research output: Journal Publication › Article › peer-review

61 Citations (Scopus)

2007

Application of transient infrared and near infrared spectroscopy to transition metal complex excited states and intermediates

Butler, J. M., George, M. W., Schoonover, J. R., Dattelbaum, D. M. & Meyer, T. J., Feb 2007, In: Coordination Chemistry Reviews. 251, 3-4, p. 492-514 23 p.

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

108 Citations (Scopus)

Influence of membrane material and corrugation and process conditions on emulsion microfiltration

Hu, B. & Scott, K., 15 May 2007, In: Journal of Membrane Science. 294, 1-2, p. 30-39 10 p.

Research output: Journal Publication › Article › peer-review

52 Citations (Scopus)

Picosecond time-resolved infrared study of 2-aminopurine ionisation in solution

Kuimova, M. K., Gill, P. M. W., Lin, C. Y., Matousek, P., Towrie, M., Sun, X. Z., George, M. W. & Parker, A. W., 2007, In: Photochemical and Photobiological Sciences. 6, 9, p. 949-955 7 p.

Research output: Journal Publication › Article › peer-review

5 Citations (Scopus)

Probing intraligand and charge transfer excited states of fac-[Re(R)(CO)₃(CO₂Et-dppz)]⁺ (R = py, 4-Me₂N-py; CO₂Et-dppz = dipyrido[3,2a:2′,3′c] phenazine-11-carboxylic ethyl ester) using time-resolved infrared spectroscopy

Kuimova, M. K., Sun, X. Z., Matousek, P., Grills, D. C., Parker, A. W., Towrie, M. & George, M. W., 2007, In: Photochemical and Photobiological Sciences. 6, 11, p. 1158-1163 6 p.

Research output: Journal Publication › Article › peer-review

Open Access

25 Citations (Scopus)

Probing the excited states of d⁶ metal complexes containing the 2,2′-bipyrimidine ligand using time-resolved infrared spectroscopy. 1. Mononuclear and homodinuclear systems

Alsindi, W. Z., Easun, T. L., Sun, X. Z., Ronayne, K. L., Towrie, M., Herrera, J. M., George, M. W. & Ward, M. D., 30 Apr 2007, In: Inorganic Chemistry. 46, 9, p. 3696-3704 9 p.

Research output: Journal Publication › Article › peer-review

32 Citations (Scopus)

Soft ionisation analysis of evolved gas for oxidative decomposition of an epoxy resin/carbon fibre composite

Jiang, G., Pickering, S. J., Walker, G. S., Bowering, N., Wong, K. H. & Rudd, C. D., 15 Mar 2007, In: Thermochimica Acta. 454, 2, p. 109-115 7 p.

Research output: Journal Publication › Article › peer-review

56 Citations (Scopus)

Solvent dependent photophysics of fac-[Re(CO)₃(11,12-X ₂dppz)(py)]⁺ (X = H, F or Me)

Dyer, J., Creely, C. M., Penedo, J. C., Grills, D. C., Hudson, S., Matousek, P., Parker, A. W., Towrie, M., Kelly, J. M. & George, M. W., 2007, In: Photochemical and Photobiological Sciences. 6, 7, p. 741-748 8 p.

Research output: Journal Publication › Article › peer-review

Open Access

30 Citations (Scopus)

Solvent effects on the charge transfer excited states of 4-dimethylaminobenzonitrile (DMABN) and 4-dimethylamino-3,5-dimethylbenzonitrile (TMABN) studied by time-resolved infrared spectroscopy: A direct observation of hydrogen bonding interactions

Kwok, W. M., Ma, C., George, M. W., Grills, D. C., Matousek, P., Parker, A. W., Phillips, D., Toner, W. T. & Towrie, M., 2007, In: Photochemical and Photobiological Sciences. 6, 9, p. 987-994 8 p.

Research output: Journal Publication › Article › peer-review

Open Access

34 Citations (Scopus)

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