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Wei-Ping Hu
Researcher at National Chung Cheng University
Publications - 74
Citations - 2986
Wei-Ping Hu is an academic researcher from National Chung Cheng University. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 28, co-authored 73 publications receiving 2578 citations. Previous affiliations of Wei-Ping Hu include Scripps Research Institute & University of Minnesota.
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Journal ArticleDOI
Mechanistic insight into reactivity of sulfate radical with aromatic contaminants through single-electron transfer pathway
Shuang Luo,Zongsu Wei,Dionysios D. Dionysiou,Richard Spinney,Wei-Ping Hu,Liyuan Chai,Zhihui Yang,Tiantian Ye,Ruiyang Xiao +8 more
TL;DR: In this paper, the first step of SET reactions for 76 aromatic contaminants (ACs) with SO4 − was investigated, and it was shown that the Gibbs free energy ( Δ G SET ∘ ) of the reaction increases with a decrease of the electron donating character of the substituents on the ACs.
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Factors Affecting Competitive Ion−Molecule Reactions: ClO- + C2H5Cl and C2D5Cl via E2 and SN2 Channels
Wei-Ping Hu,Donald G. Truhlar +1 more
TL;DR: In this article, a dual-level generalized transition state theory and statistical calculations based on correlated electronic structure calculations with augmented correlated basis sets are used to predict rate constants and deuterium kinetic isotope effects for the competing SN2 and E2 reactions of ClO-with C2H5Cl.
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Ruthenium(II) sensitizers with heteroleptic tridentate chelates for dye-sensitized solar cells.
Chun-Cheng Chou,Kuan-Lin Wu,Yun Chi,Wei-Ping Hu,Shuchun Joyce Yu,Gene-Hsiang Lee,Chia-Li Lin,Pi-Tai Chou +7 more
TL;DR: A breakthrough design employing both the H3tctpy anchor and a newly designed tridentate ancillary ligand is presented, targeted for replacing the last remaining thiocyanate in the authors' PRT4 dye as well as all three thiOCyanates in N749 sensitizer.
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Variational transition-state theory and semiclassical tunnelling calculations with interpolated corrections: a new approach to interfacing electronic structure theory and dynamics for organic reactions
TL;DR: In this article, a three-point or zero-order interpolated correction method is proposed to match the classical energies and vibration frequencies of some points (e.g. the reactant, saddle point, product, van der Waals complex, ion-molecule complex) along the minimum energy path (MEP) and in the reaction swath with high-level results.
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Kinetic and mechanistic aspects of hydroxyl radical‒mediated degradation of naproxen and reaction intermediates
Shuang Luo,Lingwei Gao,Zongsu Wei,Richard Spinney,Dionysios D. Dionysiou,Wei-Ping Hu,Liyuan Chai,Ruiyang Xiao +7 more
TL;DR: This study systematically investigated the degradation kinetics of naproxen (NAP), a representative NSAID, with a combination of experimental and theoretical approaches, and revealed that the dominant reaction intermediate is 2’(5’hydroxy’6’methoxynaphthalen’2’yl)propanoic acid (HMNPA) formed via radical adduct formation pathway.