Xin-Ping Wu - Publications
Affiliations: | East China University of Science and Technology, Shanghai, Shanghai Shi, China |
Area:
Theoretical and Computational ChemistryYear | Citation | Score | |||
---|---|---|---|---|---|
2021 | Yang B, Wu XP, Gagliardi L, Truhlar DG. Importance of Lattice Constants in QM/MM Calculations on Metal-Organic Frameworks. The Journal of Physical Chemistry. B. PMID 34037399 DOI: 10.1021/acs.jpcb.1c02328 | 0.553 | |||
2019 | Wu XP, Gagliardi L, Truhlar D. The Multilink F* Method for QM/MM Calculations of Complex Systems. Journal of Chemical Theory and Computation. PMID 31145606 DOI: 10.1021/Acs.Jctc.9B00274 | 0.536 | |||
2019 | Wu XP, Gagliardi L, Truhlar DG. Metal doping in cerium metal-organic frameworks for visible-response water splitting photocatalysts. The Journal of Chemical Physics. 150: 041701. PMID 30709313 DOI: 10.1063/1.5043538 | 0.474 | |||
2019 | Yang B, Wu X, Gagliardi L, Truhlar DG. Methane functionalization by an Ir(III) catalyst supported on a metal–organic framework: an alternative explanation of steric confinement effects Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-019-2498-Y | 0.477 | |||
2019 | Wu X, Choudhuri I, Truhlar DG. Computational Studies of Photocatalysis with Metal–Organic Frameworks Energy & Environmental Materials. 2: 251-263. DOI: 10.1002/eem2.12051 | 0.491 | |||
2018 | Wu XP, Gagliardi L, Truhlar DG. Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms. Molecules (Basel, Switzerland). 23. PMID 29848948 DOI: 10.3390/Molecules23061309 | 0.485 | |||
2018 | Wu XP, Gagliardi L, Truhlar DG. Cerium Metal-Organic Framework for Photocatalysis. Journal of the American Chemical Society. PMID 29807431 DOI: 10.1021/Jacs.8B03613 | 0.486 | |||
2017 | Wu XP, Gagliardi L, Truhlar DG. Combined quantum mechanical and molecular mechanical method for metal-organic frameworks: proton topologies of NU-1000. Physical Chemistry Chemical Physics : Pccp. PMID 29271426 DOI: 10.1039/C7Cp06751H | 0.54 | |||
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