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2024

MacPherson, Zoe and Gomes, José R. B. and Jorge, Miguel and Lue, Leo (2024) The dipole moment of supercritical water - local vs. mean-field polarisation contributions. Molecular Physics. pp. 1-13. e2381574. ISSN 0026-8976

2018

Moreira, Inês P. and Scott, Gary G. and Ulijn, Rein V. and Tuttle, Tell (2018) Computational prediction of tripeptide-dipeptide co-assembly. Molecular Physics. ISSN 0026-8976

2016

Minton, Geraint and Lue, Leo (2016) The influence of excluded volume and excess ion polarizability on the capacitance of the electric double layer. Molecular Physics, 114 (16-17). pp. 2477-2491. ISSN 0026-8976

2011

Duxbury, G. and Hay, K. G. and Langford, N. and Johnson, M. P. and Black, J. D. (2011) Real-time diagnostics of a jet engine exhaust using an intra-pulse quantum cascade laser spectrometer. Molecular Physics, 109 (17-18). pp. 2131-2142. ISSN 0026-8976

2010

Becke, S. and Haller, S. and Osipov, M.A. and Giesselmann, F. (2010) Correlation between the molecular chirality index and the spontaneous polarisation in series of smectic C-star liquid crystals. Molecular Physics, 108 (5). pp. 573-582. ISSN 0026-8976

2009

Dennison, Matthew and Masters, Andrew J. and Cheung, David and Allen, Michael P. (2009) Calculation of direct correlation function for hard particles using a virial expansion. Molecular Physics, 107 (4-6). pp. 375-382. ISSN 0026-8976

2007

Fedorov, Maxim V. and Kornyshev, Alexei A. (2007) Unravelling the solvent response to neutral and charged solutes. Molecular Physics, 105 (1). pp. 1-16. ISSN 0026-8976

Duxbury, G. and Langford, N. and McCulloch, M. T. and Wright, S. (2007) Rapid passage induced population transfer and coherences in the 8 micron spectrum of nitrous oxide. Molecular Physics, 105 (5-7). pp. 741-754. ISSN 0026-8976

Duxbury, G. and Reid, J.P. (2007) Renner-Teller interaction, high angular momentum states and spin-orbit interaction in the electronic spectrum of ND2. Molecular Physics, 105 (11-12). pp. 1603-1618. ISSN 0026-8976

2006

McCulloch, M. T. and Duxbury, G. and Langford, N. (2006) Observation of saturation and rapid passage signals in the 10.25 micron spectrum of ethylene using a frequency chirped quantum cascade laser. Molecular Physics, 104 (16-17). pp. 2767-2779. ISSN 0026-8976

Jorge, Miguel and Auerbach, Scott M. and Monson, Peter A. (2006) Modelling the thermal stability of precursor nanoparticles in zeolite synthesis. Molecular Physics, 104 (22-24). pp. 3513-3522. ISSN 0026-8976

Jorge, M. and Gulaboski, R. and Pereira, C. M. and Cordeiro, M. N. D. S. (2006) Molecular dynamics study of nitrobenzene and 2-nitrophenyloctyl ether saturated with water. Molecular Physics, 104 (22-24). pp. 3627-3634. ISSN 0026-8976

2004

Kamberaj, H. and Osipov, M.A. and Low, R.J. and Neal, M.P. (2004) Helical twisting power and chirality indices. Molecular Physics, 102 (5). pp. 431-446. ISSN 0026-8976

2002

Jorge, M and Seaton, N A (2002) Molecular simulation of phase coexistence in adsorption in porous solids. Molecular Physics, 100 (24). pp. 3803-3815. ISSN 0026-8976

Lue, L. and Jepps, O. G. and Delhommelle, J. and Evans, D. J. (2002) Configurational thermostats for molecular systems. Molecular Physics, 100 (14). pp. 2387-2395.

Jorge, M and Seaton, N A (2002) Long-range interactions in Monte Carlo simulation of confined water. Molecular Physics, 100 (13). pp. 2017-2023. ISSN 0026-8976

2000

Lue, L. and Friend, D.G. and Elliott, J.R. (2000) Critical compressibility factors for chain molecules. Molecular Physics, 98 (18). pp. 1473-1477. ISSN 0026-8976

Sweatman, M.B. (2000) Analysis of free energy functional density expansion theories. Molecular Physics, 98 (9). pp. 573-581. ISSN 0026-8976

1999

Lue, L. and Woodcock, L. V. (1999) Depletion effects and gelation in a binary hard-sphere fluid. Molecular Physics, 96 (9). pp. 1435-1443. ISSN 0026-8976