Ammonia Capture within Zirconium Metal-Organic Frameworks: Reversible and Irreversible Uptake.

Jian Liu , Zhiyong Lu , Zhijie Chen , Martino Rimoldi
ACS Applied Materials & Interfaces 13 ( 17) 20081 -20093

1
2021
Zirconium Metal-Organic Frameworks Integrating Chloride Ions for Ammonia Capture and/or Chemical Separation.

Jian Liu , Zhijie Chen , Rui Wang , Selim Alayoglu
ACS Applied Materials & Interfaces 13 ( 19) 22485 -22494

23
2021
Selective Photodimerization in a Cyclodextrin Metal-Organic Framework.

Xiao-Yang Chen , Haoyuan Chen , Luka Đorđević , Qing-Hui Guo
Journal of the American Chemical Society

21
2021
Toward Design Rules of Metal–Organic Frameworks for Adsorption Cooling: Effect of Topology on the Ethanol Working Capacity

Haoyuan Chen , Zhijie Chen , Lin Zhang , Peng Li
Chemistry of Materials 31 ( 8) 2702 -2706

22
2019
Do Internal and External Surfaces of Metal-Organic Frameworks Have the Same Hydrophobicity? Insights from Molecular Simulations.

Alexander von Wedelstedt , Haoyuan Chen , Grit Kalies , Randall Q. Snurr
Langmuir 36 ( 43) 13070 -13078

2020
Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions.

Haoyuan Chen , Timothy J. Giese , Ming Huang , Kin-Yiu Wong
Chemistry: A European Journal 20 ( 44) 14336 -14343

19
2014
Tuning the Redox Activity of Metal-Organic Frameworks for Enhanced, Selective O2 Binding: Design Rules and Ambient Temperature O2 Chemisorption in a Cobalt-Triazolate Framework.

Andrew S Rosen , M Rasel Mian , Timur Islamoglu , Haoyuan Chen
Journal of the American Chemical Society 142 ( 9) 4317 -4328

52
2020
Single-Crystal Polycationic Polymers Obtained by Single-Crystal-to-Single-Crystal Photopolymerization.

Qing-Hui Guo , Manping Jia , Zhichang Liu , Yunyan Qiu
Journal of the American Chemical Society 142 ( 13) 6180 -6187

31
2020
Interplay of Lewis and Brønsted Acid Sites in Zr-Based Metal-Organic Frameworks for Efficient Esterification of Biomass-Derived Levulinic Acid.

Fenfen Wang , Zhijie Chen , Haoyuan Chen , Timothy A. Goetjen
ACS Applied Materials & Interfaces 11 ( 35) 32090 -32096

10
2019
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.

Timothy J. Giese , Haoyuan Chen , Thakshila Dissanayake , George M. Giambaşu
Journal of Chemical Theory and Computation 9 ( 3) 1417 -1427

42
2013
Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions

Timothy J. Giese , Haoyuan Chen , Ming Huang , Darrin M. York
Journal of Chemical Theory and Computation 10 ( 3) 1086 -1098

25
2014
Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations.

Brian K. Radak , Melissa Romanus , Tai-Sung Lee , Haoyuan Chen
Journal of Chemical Theory and Computation 11 ( 2) 373 -377

18
2015
Multipolar Ewald methods, 2: applications using a quantum mechanical force field.

Timothy J. Giese , Maria T. Panteva , Haoyuan Chen , Darrin M. York
Journal of Chemical Theory and Computation 11 ( 2) 451 -461

14
2015
Multipolar Ewald methods, 1: theory, accuracy, and performance.

Timothy J. Giese , Maria T. Panteva , Haoyuan Chen , Darrin M. York
Journal of Chemical Theory and Computation 11 ( 2) 436 -450

31
2015
Recent advances toward a general purpose linear-scaling quantum force field.

Timothy J. Giese , Ming Huang , Haoyuan Chen , Darrin M. York
Accounts of Chemical Research 47 ( 9) 2812 -2820

25
2014
Divalent Metal Ion Activation of a Guanine General Base in the Hammerhead Ribozyme: Insights from Molecular Simulations

Haoyuan Chen , Timothy J. Giese , Barbara L. Golden , Darrin M. York
Biochemistry 56 ( 24) 2985 -2994

25
2017
Ultrastable Mesoporous Hydrogen-Bonded Organic Framework-Based Fiber Composites toward Mustard Gas Detoxification

Kaikai Ma , Peng Li , John H. Xin , Yongwei Chen
Cell Reports Physical Science 1 ( 2) 100024

77
2020
Isotope effect analyses provide evidence for an altered transition state for RNA 2′-O-transphosphorylation catalyzed by Zn2+

Shuming Zhang , Hong Gu , Haoyuan Chen , Emily Strong
Chemical Communications 52 ( 24) 4462 -4465

2
2016
Tuning the Atrazine Binding Sites in an Indium-Based Flexible Metal-Organic Framework.

Yongwei Chen , Xuan Zhang , Haoyuan Chen , Riki J. Drout
ACS Applied Materials & Interfaces 12 ( 40) 44762 -44768

3
2020