X
Xiaoliang Pan
Researcher at University of Oklahoma
Publications - 31
Citations - 553
Xiaoliang Pan is an academic researcher from University of Oklahoma. The author has contributed to research in topics: QM/MM & Chemistry. The author has an hindex of 11, co-authored 24 publications receiving 373 citations. Previous affiliations of Xiaoliang Pan include Jilin University & University of Arizona.
Papers
More filters
Journal ArticleDOI
Efficient sunlight-driven dehydrogenative coupling of methane to ethane over a Zn(+)-modified zeolite.
Lu Li,Guo-Dong Li,Chang Yan,Xiaoyue Mu,Xiaoliang Pan,Xiaoxin Zou,Kai-Xue Wang,Jie-Sheng Chen +7 more
Journal ArticleDOI
Stereoelectronic control in regioselective carbohydrate protection.
TL;DR: It is suggested that the regioselectivity of organotin-mediated protection is controlled by analogous steric and stereoelectronic effects as in neighboring group participation and acyl group migration, mainly dependent on the stereoelectedronic effects of the pyranoside itself, and not related to complex stannylene structures.
Journal ArticleDOI
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation
TL;DR: This work proposes a new method termed MBAR+wTP in which the ai QM/MM free energy profile is computed by a weighted thermodynamic perturbation (TP) correction to the SE profile generated by the multistate Bennett acceptance ratio (MBAR) analysis of the trajectories from umbrella samplings (US).
Journal ArticleDOI
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions.
Xiaoliang Pan,Junjie Yang,Richard Van,Evgeny Epifanovsky,Junming Ho,Jing Huang,Jingzhi Pu,Ye Mei,Ye Mei,Ye Mei,Kwangho Nam,Yihan Shao +11 more
TL;DR: A protocol for performing machine learning assisted free energy simulation of solution-phase and enzyme reactions at an ab initio quantum mechanical and molecular mechanical (ai-QM/MM) level of accuracy is reported.
Journal ArticleDOI
Unambiguous Observation of Electron Transfer from a Zeolite Framework to Organic Molecules
TL;DR: It is demonstrated that aluminosilicate zeolites in the protonated form lose their framework electrons when alkyl bromides are introduced into the pores of the zeolite.