Hanjun Fang
Hanjun Fang
School of Chemical and Biomolecular Engineering, Georgia Institute of Technology
Verified email at mail.gatech.edu - Homepage
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Prediction of CO2 Adsorption Properties in Zeolites Using Force Fields Derived from Periodic Dispersion-Corrected DFT Calculations
H Fang, P Kamakoti, J Zang, S Cundy, C Paur, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 116 (19), 10692-10701, 2012
Probing the spatial proximities among acid sites in dealuminated HY zeolite by solid-state NMR spectroscopy
S Li, SJ Huang, W Shen, H Zhang, H Fang, A Zheng, SB Liu, F Deng
The Journal of Physical Chemistry C 112 (37), 14486-14494, 2008
Recent developments in first-principles force fields for molecules in nanoporous materials
H Fang, H Demir, P Kamakoti, DS Sholl
Journal of Materials Chemistry A 2 (2), 274-291, 2014
Theoretical investigation of the effects of the zeolite framework on the stability of carbenium ions
H Fang, A Zheng, J Xu, S Li, Y Chu, L Chen, F Deng
The Journal of Physical Chemistry C 115 (15), 7429-7439, 2011
Extra-framework aluminium species in hydrated faujasite zeolite as investigated by two-dimensional solid-state NMR spectroscopy and theoretical calculations
S Li, A Zheng, Y Su, H Fang, W Shen, Z Yu, L Chen, F Deng
Physical Chemistry Chemical Physics 12 (15), 3895-3903, 2010
Acidic Strengths of Brønsted and Lewis Acid Sites in Solid Acids Scaled by 31P NMR Chemical Shifts of Adsorbed Trimethylphosphine
Y Chu, Z Yu, A Zheng, H Fang, H Zhang, SJ Huang, SB Liu, F Deng
The Journal of Physical Chemistry C 115 (15), 7660-7667, 2011
13C Chemical Shift of Adsorbed Acetone for Measuring the Acid Strength of Solid Acids: A Theoretical Calculation Study
H Fang, A Zheng, Y Chu, F Deng
The Journal of Physical Chemistry C 114 (29), 12711-12718, 2010
First principles derived, transferable force fields for CO 2 adsorption in Na-exchanged cationic zeolites
H Fang, P Kamakoti, PI Ravikovitch, M Aronson, C Paur, DS Sholl
Physical Chemistry Chemical Physics 15 (31), 12882-12894, 2013
New insights into the effects of acid strength on the solid acid-catalyzed reaction: theoretical calculation study of olefinic hydrocarbon protonation reaction
H Fang, A Zheng, S Li, J Xu, L Chen, F Deng
The Journal of Physical Chemistry C 114 (22), 10254-10264, 2010
Influence of acid strength on the reactivity of alkane activation on solid acid catalysts: A theoretical calculation study
Y Chu, B Han, H Fang, A Zheng, F Deng
Microporous and Mesoporous Materials 151, 241-249, 2012
Acidity of sulfated tin oxide and sulfated zirconia: a view from solid-state NMR spectroscopy
H Yu, H Fang, H Zhang, B Li, F Deng
Catalysis Communications 10 (6), 920-924, 2009
Identification of High-CO2-Capacity Cationic Zeolites by Accurate Computational Screening
H Fang, A Kulkarni, P Kamakoti, R Awati, PI Ravikovitch, DS Sholl
Chemistry of Materials 28 (11), 3887-3896, 2016
Selective oxidation of methanol over supported vanadium oxide catalysts as studied by solid-state NMR spectroscopy
D Zeng, H Fang, A Zheng, J Xu, L Chen, J Yang, J Wang, C Ye, F Deng
Journal of Molecular Catalysis A: Chemical 270 (1-2), 257-263, 2007
First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites
H Fang, R Awati, SE Boulfelfel, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C 122 (24), 12880-12891, 2018
Predictions of Hg0 and HgCl2 Adsorption Properties in UiO-66 from Flue Gas Using Molecular Simulations
H Tang, H Fang, Y Duan, DS Sholl
The Journal of Physical Chemistry C 123 (10), 5972-5979, 2019
Significant temperature dependence of the isosteric heats of adsorption of gases in zeolites demonstrated by experiments and molecular simulations
AS Hyla, H Fang, SE Boulfelfel, G Muraro, C Paur, K Strohmaier, ...
The Journal of Physical Chemistry C 123 (33), 20405-20412, 2019
Adsorbent Materials And Methods of Adsorbing Carbon Dioxide
PI Ravikovitch, D Sholl, C Paur, KG Strohmaier, H Fang, AR Kulkarni, ...
US Patent App. 15/351,693, 2017
Isomeric effect on H/D Exchange of resveratrol studied by NMR spectroscopy
H Jiang, H Fang, L Jiang, L Zheng, N Wang, A Zheng, F Deng, M Liu
Chinese Journal of Chemistry 28 (11), 2281-2286, 2010
Understanding Dealumination Mechanisms in Protonic and Cationic Zeolites
J Sun, H Fang, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry C, 2019
A Strong Test of Atomically-detailed Models of Molecular Adsorption in Zeolites Using Multi-laboratory Experimental Data for CO2 Adsorption in Ammonium ZSM-5
H Fang, J Findley, G Muraro, PI Ravikovitch, DS Sholl
The Journal of Physical Chemistry Letters, 2019
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