Research output per year
Research output per year
- 50 - 59 out of 59 results
Search results
-
2012
Calculation of partition functions and free energies of a binary mixture using the energy partitioning method: Application to carbon dioxide and methane
Do, H., Hirst, J. D. & Wheatley, R. J., 19 Apr 2012, In: Journal of Physical Chemistry B. 116, 15, p. 4535-4542 8 p.Research output: Journal Publication › Article › peer-review
21 Citations (Scopus) -
Structural optimization of molecular clusters with density functional theory combined with basin hopping
Do, H. & Besley, N. A., 7 Oct 2012, In: Journal of Chemical Physics. 137, 13, 134106.Research output: Journal Publication › Article › peer-review
Open Access49 Citations (Scopus) -
Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper-cysteine bond
Do, H. & Besley, N. A., 23 Aug 2012, In: Journal of Physical Chemistry A. 116, 33, p. 8507-8514 8 p.Research output: Journal Publication › Article › peer-review
7 Citations (Scopus) -
2011
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 Access5 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) -
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) -
2010
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) -
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)