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hong-xing documents
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Direct dynamics simulations of the hydrogen abstraction reaction Cl + CF3CF2CH2OH
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NCN palladium pincer via transmercuration. Synthesis of [2-(2-oxazoliny)-6-(2-pyridyl)] phenylpalladium(II) chloride and its catalytic activity in Suzuki coupling
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Theoretical investigation of triphenylamine-based sensitizers with different π-spacers for DSSC
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Highlighting a π–π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2
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Ab Initio Study of the Spectroscopy of (CH 3 ) 3 CN and (CH 3 ) 2 CHN
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Theoretical Studies on Structures and Spectroscopic Properties of Cyclometalated Gold(III) Complexes
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Theoretical Studies on the Interaction of Ruthenium Sensitizers and Redox Couple in Different Deprotonation Situations
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DFT and TD-DFT study on the electronic structures and phosphorescent properties of 6-phenyl-2,2′-bipyridine tridentate iridium(iii) complexes and their isomer
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Ab Initio Study on Luminescent Properties and Aurophilic Attraction of [Au 2 (dpm)(i-mnt)] and Its Related Au(I) Complexes (dpm = bis(diphosphino)methane and i-mnt = i-malononitriledithiolate)
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Design of D–A–π–A organic dyes with different acceptor and auxiliary acceptor for highly efficient dye-sensitized solar cells: a computational study
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Molecular basis of the recognition of arachidonic acid by cytochrome P450 2E1 along major access tunnel
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Exploring the Molecular Basis of dsRNA Recognition by Mss116p Using Molecular Dynamics Simulations and Free-Energy Calculations
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Theoretical studies of electronic and optical properties of the triphenylamine-based organic dyes with diketopyrrolopyrrole chromophore
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Efficient Blue-Emitting Ir(III) Complexes with Phosphine Carbanion-Based Ancillary Ligand: A DFT Study
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Theoretical Studies of Ground and Excited Electronic States in a Series of Rhenium(I) Bipyridine Complexes Containing Diarylethynyl-Based Structure
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Isovalent Gold(I), -(II), and -(III) and Mixed-Valent Gold(I)/Gold(III) Phosphorus Ylide Complexes. Combined ab Initio and Density Functional Study of Electronic Structures and Spectroscopic
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[IEEE Graphics (ICIG) - Hefei, Anhui, China (2011.08.12-2011.08.15)] 2011 Sixth International Conference on Image and Graphics - Automatic Bridge Extraction for Optical Images
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Structures, spectroscopic properties and redox potentials of quaterpyridyl Ru(ii) photosensitizer and its derivatives for solar energy cell: a density functional study
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Co-precipitation synthesis of Sn and/or S doped nanostructured Cu3Sb1−xSnxSe4−ySy with a high thermoelectric performance
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[IEEE 2010 Second Global Congress on Intelligent Systems (GCIS) - Wuhan, Hubei, China (2010.12.16-2010.12.17)] 2010 Second WRI Global Congress on Intelligent Systems - A Knowledge
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Surface structure of a glassy carbon. Scanning tunnelling microscopy study
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