A5113185162- Organometallic Complex Synthesis and Catalysis
- Metal complexes synthesis and properties
- Synthetic Organic Chemistry Methods
- DNA and Nucleic Acid Chemistry
- Nuclear Physics and Applications
- Carbon dioxide utilization in catalysis
- Radio Frequency Integrated Circuit Design
- Electromagnetic Compatibility and Noise Suppression
- Advancements in PLL and VCO Technologies
- Surface Chemistry and Catalysis
- Radiation Detection and Scintillator Technologies
- Particle Detector Development and Performance
- Molecular Junctions and Nanostructures
- Polymer crystallization and properties
- Metal-Organic Frameworks: Synthesis and Applications
- Polymer Surface Interaction Studies
- Monoclonal and Polyclonal Antibodies Research
- Synthesis and Characterization of Heterocyclic Compounds
- Chemical Synthesis and Analysis
- Catalytic Processes in Materials Science
- Advanced Physical and Chemical Molecular Interactions
- Asymmetric Hydrogenation and Catalysis
- Material Dynamics and Properties
- Corrosion Behavior and Inhibition
- CO2 Reduction Techniques and Catalysts
Henan Institute of Science and Technology
2024
China Spallation Neutron Source
2024
Wuhan University of Science and Technology
2020
Sichuan University
2009
Eindhoven University of Technology
2004-2007
Utrecht University
2007
Advanced Micro Devices (United States)
2004-2005
Chinese Academy of Sciences
1999-2004
Brigham Young University
2004
Institute of Chemistry
1999-2002
Abstract A means of correlation between the activity and net charge, metal atom charge (MANCC), which was successful in prediction early‐transition catalysts, has been used to study catalytic activities salicylaldiminato Ni(II) complexes, late‐transition olefin polymerization or oligomerization. comparison with available quantum mechanics/molecular mechanics (QM/MM) calculation data suggests that even without a detailed mechanism, MANCC results mostly agree QM/MM regarding insertion barrier...
A combination of molecular mechanics and the charge equilibration method was applied further developed to predicting catalyst activity a metal complex. late transition catalyst, {di-μ-bromotetra [N,N′-bis(3,5-dimethylanil)-4-methyl-2,6-bis(imino)phenoxy]nickel} bromide (MOL) dealt with. modified force field from universal set validated for this system. Simulations predict that MOL varies little with temperature. Simulation results were in good agreement experimental ethylene oligomerization...
[reaction: see text] The effects of pi-stacking on the stability multiply hydrogen-bonded systems are investigated using hybrid DFT calculations pi-stacked quadruply H-bonded dimers ureidopyrimidinone in its different tautomeric forms. Both strengths hydrogen bonds and relative occurrence tautomers influenced by pi-stacking; electrostatics natural bond orbital analysis used to explain these observations. Finally, conclusions independent precise nature systems, including DNA base pairs.
This paper presents a single-chip dual-band CMOS direct-conversion transceiver fully compliant with the IEEE 802.11a/b/g standards. Operating in frequency ranges of 2.412-2.484 GHz and 4.92-5.805 (including Japanese band), fractional-N PLL based synthesizer achieves an integrated (10 kHz-10 MHz) phase noise 0.54/spl deg//1.1/spl deg/ for 2/5-GHz band. The transmitter error vector magnitude (EVM) is -36/-33 dB output power level higher than -3/-5dBm receiver sensitivity -75/-74 dBm band 64QAM...
A multifunctional supramolecular adhesive synthesized using a natural small molecule monomer thioctic acid.
Molecular modeling was used to simulate various surfaces derived from the addition of 1-alkenes and 1-alkynes SiSi dimers on Si(100)−2 × 1 surface. The primary aim better understand interactions between adsorbates surface distortions underlying silicon crystal due functionalization. Random ethylene acetylene determine how an adduct molecule affects subsequent additions for coverages up one per dimer, that is, 100% coverage. Randomization subdues effect relative positions have enthalpy...
Chronic myeloid leukemia (CML) originates from normal hematopoietic stem cells acquiring Philadelphia chromosome (Ph) to generate BCR-ABL fusion gene whose protein product has deregulated tyrosine kinase activity. Specific inhibitors against BCR-ABL, such as Imatinib mesylate (IM), have greatly improved CML management; however, no single agent is a cure yet. Delivery of microRNA (miRNA) using non-viral vectors been utilized inhibit various cancer cells; the efficacy this approach target...
Abstract: Development of the fast neutron radiography with higher penetration capability in Non-Destructive Testing (NDT) techniques is rapidly. The detection efficiency and imaging spatial resolution are main problem detector for many systems. In this paper, a composed pixelated EJ200 scintillator array，an 16 × silicon-photomultipliers (SiPM) array, capacitive multiplexing network readout electronics designed. Using Monte-Carlo simulations，the parameters was optimization. Then prototype...
The conformational transition behavior around the glass temperature has been studied by means of molecular dynamics through a model system, atactic polypropylene in bulk. Various criteria were examined. A domain at barrier site is defined as state conformers and other states are labeled code. accepted when code changed. Variation width distinguishes deep jumps torsion rotations from shallow that do not reach well bottom within ±20° minimum. obeys rate equation transition-state theory, being...
A 3-ureidobenzo-1,2,4-triazine 1-N-oxide (1) was synthesized successfully. The derivative displays an acceptor−donor−acceptor−acceptor (ADAA) hydrogen-bonding motif in CDCl3 and DMSO-d6 solution as well the solid state. Although moderately strong association of 1 observed with DAD motifs, nonspecific binding is ureidopyridines featuring a complementary DADD array. Density functional calculations conformations 1a 1b together two complexes revealed clearly nonplanar geometry multiply...
In arthroplasty prostheses and dental implant, titanium is an excellent biocompatible material for its advanced physical qualities better biocompatibility. However, it was reported that high ratios of particles can be liberated due to the continual loading or articulation cycles implant. Because bone marrow stem cells (BMSCs) located adjacent implant are critical contributors osseous tissue integrity, this study researched influence on BMSCs' viability, proliferation, cell skeleton....
Two new silolene-bridged metallocenes for isotactic polypropylene, racemic (1,4-butanediyl) silylene-bis (1-η5-2-methyl-indenyl) dichlorozironium and diphenyl dichlorozironium, were designed in terms of the mechanism concept activity selectivity metallocenes. The predictions on which designs based carried out four metallocene catalysts through molecular modeling methods such as mechanics charge equilibrium. In a comparison data from three that successfully synthesized, predicted orders...
This paper presents a single chip dual-band transceiver, fully compliant with the IEEE 802.11 a/b/g standards. Operating in frequency ranges of 2.412-2.484 GHz and 4.92-5.805 (including Japanese band), fractional-N PLL based synthesizer achieves an integrated (10 kHz-10 MHz) phase noise 0.54/spl deg//1.1/spl deg/ for 2/5-GHz band. The transmitter error-vector-magnitude (EVM) is -36/-33 dB output power level higher than -3/-5 dBm receiver sensitivity better -70 band 64QAM at 54 Mb/s.
Among non-destructive testing (NDT) techniques, fast neutron radiography with a higher penetration capability has achieved rapid advancements. However, the application of detector in many imaging systems is limited by unfavorable detection efficiency and spatial resolution. In this paper, was designed, which composed pixelated EJ200 scintillator array, 16 × silicon photomultiplier (SiPM) capacitive multiplexing network readout electronics. The main parameters were optimized using Monte Carlo...
Two new silolene-bridged metallocenes for isotactic polypropylene, racemic (1,4-butanediyl) silylene-bis (1-η5-2-methyl-indenyl) dichlorozironium and diphenyl dichlorozironium, were designed in terms of the mechanism concept activity selectivity metallocenes. The predictions on which designs based carried out four metallocene catalysts through molecular modeling methods such as mechanics charge equilibrium. In a comparison data from three that successfully synthesized, predicted orders...
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