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研究领域

Molecular Modelling; Photocatalysis; Scientific Computing and Visualisation; Materials Science; Medical Biophysics

近期论文

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Zhang, Jiapu ; Wang, Feng ; Chatterjee, Subhojyoti ; 2016. Molecular dynamics studies on the buffalo prion protein. Journal of Biomolecular Structure and Dynamics. Vol. 34, no. 4 (2016), pp. 762-777 Bourke, J. D. ; Islam, M. T. ; Best, S. P. ; Tran, C. Q. ; Wang, F. ; Chantler, C. T. ; 2016. Conformation analysis of ferrocene and decamethylferrocene via full-potential modeling of XANES and XAFS spectra. The Journal of Physical Chemistry Letters. Vol. 7, no. 14 (Jul 2016), pp. 2792-2796 Zhang, Jiapu ; Wang, Feng ; 2016. Letter to the editor: A review on the salt bridge ASP177-ARG163 (O-N) of wild-type rabbit prion protein. Journal of Biomolecular Structure and Dynamics. Vol. 34, no. 5 (2016), pp. 1020-1028 Khattab, Muhammad ; Wang, Feng ; Clayton, Andrew H. A. ; 2016. UV-Vis spectroscopy and solvatochromism of the tyrosine kinase inhibitor AG-1478. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Vol. 164, (Jul 2016), pp. 128-132 Khattab, Muhammad ; Chatterjee, Subhojyoti ; Clayton, Andrew ; Wang, Feng ; 2016 (in press). Two Conformers of a Tyrosine Kinase Inhibitor (AG-1478) Disclosed Using Simulated UV-Vis Absorption Spectroscopy. New Journal of Chemistry.  Islam, M. T. ; Best, S. P. ; Bourke, J. D. ; Tantau, L. J. ; Tran, C. Q. ; Wang, F. ; Chantler, C. T. ; 2016. Accurate X-ray absorption spectra of dilute systems: Absolute measurements and structural analysis of ferrocene and decamethylferrocene. Journal of Physical Chemistry C. Vol. 120, no. 17 (2016), pp. 9399-9418 Chatterjee, Subhojyoti ; Wang, Feng ; 2016 (in press). How different is pyrimidine as a core component of DNA base from its diazine isomers: a DFT study. International Journal of Quantum Chemistry.  Arooj, Q. ; Wilson, G. J. ; Wang, F. ; 2016. Shifting UV-vis absorption spectrum through rational structural modifications of zinc porphyrin photoactive compounds. RSC Advances. Vol. 6, no. 19 (2016), pp. 15345-15353 Hall, C. ; Acres, R. G. ; Winnett, A. ; Wang, F. ; 2016. Combined SRCT & FXCT - the next steps. Journal of Instrumentation. Vol. 11, no. 3 (Mar 2016), article no. C03048 Chatterjee, Subhojyoti ; Ahmed, Marawan ; Wang, Feng ; 2016. How similar Is the electronic structures of β–lactam and alanine?. Radiation Physics and Chemistry. Vol 119 (Feb 2016), pp. 1-8

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