334 results on '"Liu, Guokui"'
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2. Effect of different counterions on the self-assembly structures and properties of imidazole based ionic liquids surfactant: A molecular dynamics study
3. Insight into the stabilization mechanism of imidazole-based ionic liquids at the interface of the carbon nanotubes: A computational study
4. The charge-transfer states and excitation energy transfers of halogen-free organic molecules from first-principles many-body Green’s function theory
5. Molecular dynamics study on the aggregation behaviours of Platonic micelle in different NaCl solutions
6. Molecular dynamics study on the effect of surfactant mixture on their packing states in mixed micelles
7. Molecular dynamics study on TOTO-based ionic liquids with different cations
8. DFT Study of Cluster Size-Dependent Structures and Properties of (HClGaN3)n (n = 1–6) Clusters
9. The Effect of Different Substances Embedded in Fullerene Cavity on Surfactant Self-Assembly Behavior through Molecular Dynamics Simulation.
10. Exploring relationship of the state of N-dodecyl betaine in the solution monomer, at the interface and in the micelle via configurational entropy
11. Probing the Structures and Properties of Asymmetric Clusters (CH3ClBN3)n (n = 1–6) with Density Functional Theory
12. A molecular dynamics study combining with entropy calculation on the packing state of hydrophobic chains in micelle interior
13. The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation
14. Thermal/Water-Induced Phase Transformation and Photoluminescence of Hybrid Manganese(II)-Based Chloride Single Crystals
15. Methanol‐Induced Crystallization of Chiral Hybrid Manganese (II) Chloride Single Crystals for Achieving Circularly Polarized Luminescence and Second Harmonic Generation
16. A molecular dynamics study of cellulose inclusion complexes in NaOH/urea aqueous solution
17. Molecular Dynamics Simulations on the Adsorbed Monolayers of N-Dodecyl Betaine at the Air–Water Interface
18. The effect of betaine on the foam stability: Molecular simulation
19. The properties of asphaltene at the oil-water interface: A molecular dynamics simulation
20. Methanol‐Induced Crystallization of Chiral Hybrid Manganese (II) Chloride Single Crystals for Achieving Circularly Polarized Luminescence and Second Harmonic Generation.
21. Oxidation-Induced Dissolution Recrystallization Structural Transformation Strategy Enhanced Nonlinear Optical Effect of Hybrid Chiral Tin Bromide Single Crystals.
22. A kinetic Monte Carlo simulation of center shift on template-induced surface
23. DFT Calculations of Structure and Properties of Asymmetric Clusters (HClInN3)n (n = 1–6)
24. Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution
25. Chirality–Racemization Strategy Toward Copper (I) Iodide Hybrid Single‐Crystalline Scintillators for X‐Ray Detection and Imaging Applications
26. Molecular dynamics simulations on tetraalkylammonium interactions with dodecyl sulfate micelles at the air/water interface
27. A kinetic Monte Carlo simulation of organic particles hetero-patterning on template-induced surface
28. Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state
29. Oxidation-induced phase transformations of hybrid tin bromide single crystals enable the occurrence of second-harmonic generation
30. Electronic Energy Level Structure
31. Effect of temperature on the complexation of NpO2+ with benzoic acid: Spectrophotometric and calorimetric studies
32. Optical Spectra and Electronic Structure
33. A degenerate model of vibronic transitions for analyzing 4f–5d spectra
34. Luminescence properties and thermal stability of a red phosphor ZnSiF6·6H2O:Mn4+ synthesized by the one-step hydrothermal method
35. Theoretical analysis of optical spectra of Ce3+ in multi-sites host compounds
36. Optical Spectra and Electronic Structure
37. Electronic structures of organometallic complexes of f elements LXXIX: Truncated crystal field splitting patterns of monomeric pseudo trigonal planar Yb(η5-C5H4R)3 (R = Me, Et, tBu, SiMe3) complexes and polymeric [(η5-C5H5)2Yb(μ-η5:η1-C5H5)] as well as selected mono adducts
38. Organic–Inorganic Hybrid Tin Halide Single Crystals with Sulfhydryl and Hydroxyl Groups: Formation, Optical Properties, and Stability
39. The Excited State and Charge Transfer of Two Nonfullerene Acceptors from First-Principles Many-Body Green’s Function Theory
40. Chiral Hybrid Copper(I) Iodide Single Crystals Enable Highly Selective Ultraviolet-Pumped Circularly Polarized Luminescence Applications
41. Enhancing fluorescence intensity of Ellagic acid in Borax–HCl–CTAB micelles
42. Air-grown hybrid copper(i) halide single crystals: structural transformations and ultraviolet-pumped photoluminescence applications
43. Research on the Reform of Training Model for Cultivating Applied Talents of Chemistry in Local Universities
44. A few mistakes in widely used data files for [formula omitted] configurations calculations
45. Optical Spectra and Electronic Structure
46. Layered Perovskite (CH3NH3)2Pb(SCN)2I2 Single Crystals: Phase Transition and Moisture Stability
47. Molecular dynamics simulations on fullerene surfactants with different charges at the air–water interface
48. Dedication to William T. Carnall
49. Chapter 233 Spectroscopic properties of lanthanides in nanomaterials
50. Electronic Energy Level Structure
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