Hainam Do

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EmailHainam.Do@nottingham.edu.cn

h-index

4329

Scopus Citations
20

h-index

20102025

Research activity per year

38 Article
1 Review article

50 - 66 out of 66 results

2015
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Shao, Y., Gan, Z., Epifanovsky, E., Gilbert, A. T. B., Wormit, M., Kussmann, J., Lange, A. W., Behn, A., Deng, J., Feng, X., Ghosh, D., Goldey, M., Horn, P. R., Jacobson, L. D., Kaliman, I., Khaliullin, R. Z., Kus̈, T., Landau, A., Liu, J. & Proynov, E. I. & 137 others, Rhee, Y. M., Richard, R. M., Rohrdanz, M. A., Steele, R. P., Sundstrom, E. J., Woodcock, H. L., Zimmerman, P. M., Zuev, D., Albrecht, B., Alguire, E., Austin, B., Beran, G. J. O., Bernard, Y. A., Berquist, E., Brandhorst, K., Bravaya, K. B., Brown, S. T., Casanova, D., Chang, C. M., Chen, Y., Chien, S. H., Closser, K. D., Crittenden, D. L., Diedenhofen, M., Distasio, R. A., Do, H., Dutoi, A. D., Edgar, R. G., Fatehi, S., Fusti-Molnar, L., Ghysels, A., Golubeva-Zadorozhnaya, A., Gomes, J., Hanson-Heine, M. W. D., Harbach, P. H. P., Hauser, A. W., Hohenstein, E. G., Holden, Z. C., Jagau, T. C., Ji, H., Kaduk, B., Khistyaev, K., Kim, J., Kim, J., King, R. A., Klunzinger, P., Kosenkov, D., Kowalczyk, T., Krauter, C. M., Lao, K. U., Laurent, A. D., Lawler, K. V., Levchenko, S. V., Lin, C. Y., Liu, F., Livshits, E., Lochan, R. C., Luenser, A., Manohar, P., Manzer, S. F., Mao, S. P., Mardirossian, N., Marenich, A. V., Maurer, S. A., Mayhall, N. J., Neuscamman, E., Oana, C. M., Olivares-Amaya, R., Oneill, D. P., Parkhill, J. A., Perrine, T. M., Peverati, R., Prociuk, A., Rehn, D. R., Rosta, E., Russ, N. J., Sharada, S. M., Sharma, S., Small, D. W., Sodt, A., Stein, T., Stück, D., Su, Y. C., Thom, A. J. W., Tsuchimochi, T., Vanovschi, V., Vogt, L., Vydrov, O., Wang, T., Watson, M. A., Wenzel, J., White, A., Williams, C. F., Yang, J., Yeganeh, S., Yost, S. R., You, Z. Q., Zhang, I. Y., Zhang, X., Zhao, Y., Brooks, B. R., Chan, G. K. L., Chipman, D. M., Cramer, C. J., Goddard, W. A., Gordon, M. S., Hehre, W. J., Klamt, A., Schaefer, H. F., Schmidt, M. W., Sherrill, C. D., Truhlar, D. G., Warshel, A., Xu, X., Aspuru-Guzik, A., Baer, R., Bell, A. T., Besley, N. A., Chai, J. D., Dreuw, A., Dunietz, B. D., Furlani, T. R., Gwaltney, S. R., Hsu, C. P., Jung, Y., Kong, J., Lambrecht, D. S., Liang, W., Ochsenfeld, C., Rassolov, V. A., Slipchenko, L. V., Subotnik, J. E., Van Voorhis, T., Herbert, J. M., Krylov, A. I., Gill, P. M. W. & Head-Gordon, M., 17 Jan 2015, In: Molecular Physics. 113, 2, p. 184-215 32 p.
Research output: Journal Publication › Article › peer-review

Open Access
2592 Citations (Scopus)
Citations
Citation Indexes: 520
Patent Family Citations: 2
Usage
Downloads: 5962
Abstract Views: 227
Captures
Readers: 1069
Mentions
References: 1
Social Media
Shares, Likes & Comments: 80
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Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials
Do, H. & Besley, N. A., 7 Feb 2015, In: Physical Chemistry Chemical Physics. 17, 5, p. 3898-3908 11 p.
Research output: Journal Publication › Article › peer-review

Open Access
12 Citations (Scopus)
Citations
Citation Indexes: 12
Captures
Readers: 14
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Developing accurate molecular mechanics force fields for conjugated molecular systems
Do, H. & Troisi, A., 27 Aug 2015, In: Physical Chemistry Chemical Physics. 17, 38, p. 25123-25132 10 p.
Research output: Journal Publication › Article › peer-review

Open Access
21 Citations (Scopus)
Citations
Citation Indexes: 21
Captures
Readers: 51
see details
2013
Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins
Do, H., Deeth, R. J. & Besley, N. A., 11 Jul 2013, In: Journal of Physical Chemistry B. 117, 27, p. 8105-8112 8 p.
Research output: Journal Publication › Article › peer-review

Open Access
8 Citations (Scopus)
Citations
Citation Indexes: 8
Captures
Readers: 9
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Density of states partitioning method for calculating the free energy of solids
Do, H. & Wheatley, R. J., 8 Jan 2013, In: Journal of Chemical Theory and Computation. 9, 1, p. 165-171 7 p.
Research output: Journal Publication › Article › peer-review
18 Citations (Scopus)
Proton transfer or hemibonding? the structure and stability of radical cation clusters
Do, H. & Besley, N. A., 14 Oct 2013, In: Physical Chemistry Chemical Physics. 15, 38, p. 16214-16219 6 p.
Research output: Journal Publication › Article › peer-review

Open Access
41 Citations (Scopus)
Citations
Citation Indexes: 41
Captures
Readers: 24
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Structure and bonding in ionized water clusters
Do, H. & Besley, N. A., 27 Jun 2013, In: Journal of Physical Chemistry A. 117, 25, p. 5385-5391 7 p.
Research output: Journal Publication › Article › peer-review

Open Access
42 Citations (Scopus)
Citations
Citation Indexes: 42
Captures
Readers: 31
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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
22 Citations (Scopus)
Citations
Citation Indexes: 22
Captures
Readers: 41
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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 Access
49 Citations (Scopus)
Citations
Citation Indexes: 49
Captures
Readers: 52
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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)
Citations
Citation Indexes: 7
Captures
Readers: 4
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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 Access
5 Citations (Scopus)
Citations
Citation Indexes: 5
Captures
Readers: 11
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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)
Citations
Citation Indexes: 4
Captures
Readers: 15
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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)
Citations
Citation Indexes: 29
Captures
Readers: 59
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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)
Citations
Citation Indexes: 17
Captures
Readers: 15
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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)
Citations
Citation Indexes: 20
Captures
Readers: 30
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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)
Citations
Citation Indexes: 11
Captures
Readers: 14
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Dr Hainam Do

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