Hai-Bo Yi
0000-0003-4731-2469
Hunan University
35 papers found
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Microscopic insight into the ion aggregation characteristics in aqueous MgCl2 and MgCl2–LiCl solutions: Implications for Mg2+/Li+ separation
Molecular dynamics simulation study on distinctive hydration characteristics of highly coordinated calcium chloride complexes
Engineering an NIR rhodol derivative with spirocyclic ring-opening activation for high-contrast photoacoustic imaging
Enhancing the Anti-Solvatochromic Two-Photon Fluorescence for Cirrhosis Imaging by Forming a Hydrogen-Bond Network
Design, synthesis, DFT study and antifungal activity of the derivatives of pyrazolecarboxamide containing thiazole or oxazole ring
Microscopic insight into precipitation and adsorption of As(V) species by Fe-based materials in aqueous phase
What dictates which ion, I− or Br−, mediates the growth of cubic Pd nanocrystals?
The improvement of photocatalytic activity of monolayer g-C3N4via surface charge transfer doping
New insights into the chlorination of sulfonamide: Smiles-type rearrangement, desulfation, and product toxicity
Enhanced visible light absorption performance of SnS2 and SnSe2via surface charge transfer doping
Synthesis and characterization of a highly stable zinc phenylporphyrin Isoxazoline-[60] fullerene dyad: Impact of coordination on the redox and fluorescence properties
DNA mimics of red fluorescent proteins (RFP) based on G-quadruplex-confined synthetic RFP chromophores
Structure and spectroscopic study of aqueous Fe(III)-As(V) complexes using UV–Vis, XAS and DFT-TDDFT
Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulations
Insight into G-quadruplex-hemin DNAzyme/RNAzyme: adjacent adenine as the intramolecular species for remarkable enhancement of enzymatic activity
Synthesis and characterization of luminescent zinc complexes containing redox-active 1-(2-pyridylazo)-2-acenaphthequinol ligands with nonlinear optical property
High-order Cu(II) chloro-complexes in LiCl brines: Insights from density function theory and molecular dynamics
Effects of Interactions between Ions and Alanine Polar Groups on Alanine Associations in Saline Solution: Density Functional Theory and Molecular Dynamics Simulation
Ion association characteristics in MgCl2 and CaCl2 aqueous solutions: a density functional theory and molecular dynamics investigation
Cesium-Catalyzed Regioselective Synthesis of Trisubstituted Heteroatom Alkenes: A New Strategy for the Preparation of Functional Alkenes
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