Search Results - "Lu, Wencai"
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Structure and Reactivity of Anatase TiO2(001)-(1 × 4) Surface
Published in Journal of physical chemistry. C (05-07-2018)“…TiO2 anatase (001) surface which usually exhibits (1 × 4) surface reconstruction has attracted lots of research interests for its potentially high…”
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Enhanced resistance switching in ultrathin Ag/SrTiO3/(La,Sr)MnO3 memristors and their long-term plasticity for neuromorphic computing
Published in Applied physics letters (12-07-2021)“…Neuromorphic computing is a promising candidate for next-generation information technologies. In the present work, we report the realization of long-term…”
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Identification of Dual-Target Inhibitors for Epidermal Growth Factor Receptor and AKT: Virtual Screening Based on Structure and Molecular Dynamics Study
Published in Molecules (Basel, Switzerland) (01-11-2023)“…Epidermal growth factor EGFR is an important target for non-small cell lung (NSCL) cancer, and inhibitors of the AKT protein have been used in many cancer…”
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Theoretical study on the Y-Ba-H hydrides at high pressure
Published in Physics letters. A (26-02-2021)“…•The phases of YBaH8 appear difference due to the different arrangement of H atoms.•We explored its synthesis path of BaH2 + YH6 → YBaH8.•The properties of…”
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Theoretically Predicted CO Adsorption and Activation on the Co-Doped hcp-Fe7C3 Catalyst
Published in Catalysts (01-03-2023)“…The Hcp-Fe7C3 phase has attracted more attention due to the high catalytic activity in Fischer–Tropsch synthesis (FTS) reactions. In this work, the adsorption…”
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Theoretical Study on Fe–Se–H Hydrides under High Pressure
Published in Journal of physical chemistry. C (21-11-2019)“…Iron hydrides can be formed under high pressure and have special physical and chemical properties. Structures and stabilities of Fe X SeH Y (X = 1–2, Y = 1–6)…”
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Atomic-level reconstruction of biomolecules by a rigid-fragment- and local-frame-based (RF-LF) strategy
Published in Journal of molecular modeling (21-01-2020)“…Coarse-grained (CG) model has been a powerful tool in bridging the gap between theoretical studies and experimental phenomena in biological computing field…”
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P8 nuclear receptor responds to acaricides exposure and regulates transcription of P450 enzyme in the two-spotted spider mite, Tetranychus urticae
Published in Comparative biochemistry and physiology. Toxicology & pharmacology (01-10-2019)“…Spider mites are destructive arthropod pests on many crops and they have developed resistance to nearly all acaricides. In recent years, along with the…”
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Biochemical mechanism of rice nitrogen promoting the resistance development of Nilaparvata lugens (Stål) to buprofezin
Published in Journal of Asia-Pacific entomology (01-08-2021)“…[Display omitted] •Overusing nitrogen fertilizer impacts buprofezin’ efficacy to Nilaparvata lugens.•Rice nitrogen facilitates the resistance development of N…”
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High Gama-Aminobutyric Acid Contents Involved in Abamectin Resistance and Predation, an Interesting Phenomenon in Spider Mites
Published in Frontiers in physiology (11-04-2017)“…Abamectin has been widely used as an insecticide/acaricide for more than 30 years because of its superior bioactivity. Recently, an interesting phenomenon was…”
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Molecular Characterization and Expression of a Heat Shock Protein Gene (HSP90) from the Carmine Spider Mite, Tetranychus cinnabarinus (Boisduval)
Published in Journal of insect science (Tucson, Ariz.) (01-07-2010)“…In this study, the cDNA of Tetranychus cinnabarinus (Boisduval) (Acarina: Tetranychidae) HSP90 (designated TcHSP90) was cloned using a combination of the…”
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Tunable Photoresponse by Gate Modulation in Bilayer Graphene Nanoribbon Devices
Published in The journal of physical chemistry letters (19-12-2019)“…Control of absorption and photocurrent conversion is of practical importance for the design of photoelectric devices. In this paper, using simulations, we…”
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Tracking Electron Dynamics of Single Molecules in Scanning Tunneling Microscopy Junctions with Laser Pulses
Published in The journal of physical chemistry letters (15-07-2021)“…On the basis of real-time simulations, we devise a method to extend the capability of scanning tunneling microscopy (STM) to track the electronic dynamics of…”
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Structure and Reactivity of Anatase TiO 2 (001)-(1 × 4) Surface
Published in Journal of physical chemistry. C (05-07-2018)Get full text
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15
Theoretical study of CO adsorption and activation on h-Fe7C3(11¯1) for Fischer-Tropsch synthesis
Published in Molecular catalysis (01-11-2022)“…•The adsorption sites of CO and H are determined on h-Fe7C3(11¯1) surface.•The feasible CO dissociation pathways on B5 site for h-Fe7C3(11¯1) are obtained.•The…”
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Introducing the effective polarizable bond (EPB) model in DNA simulations
Published in Chemical physics letters (16-12-2021)“…The ff14SBEPB force field generates smaller average base–base hydrogen-bond (HB) distances than the ff14SB one in the 1BNA simulation. [Display omitted] •The…”
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Search for most stable structure of Si8H8 cluster
Published in Chemical physics letters (15-08-2003)Get full text
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Adsorption and activation of CO on perfect and defective h-Fe7C3 surfaces for Fischer-Tropsch synthesis
Published in Molecular catalysis (15-04-2023)“…•CO activation mechanism are systematically investigated on a set of perfect and defective surfaces.•More electrons transformation between CO and B5-like site…”
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Transcriptome analysis revealed that multiple genes were related to the cyflumetofen resistance of Tetranychus cinnabarinus (Boisduval)
Published in Pesticide biochemistry and physiology (01-03-2021)“…Metabolic resistance is one of the main causes of acaricide resistance. Many previous studies focused on the function of specific genes in…”
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Superconductivity of K-Y-H hydrides under high pressure
Published in Physics letters. A (30-12-2021)“…•The KYH8-C2/m structure has buckled “H3” units, KYH14-Cmmm structure, the rich H atoms form a cage-like structure.•We explored its synthesis path of K + 5/2H2…”
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