Accurate Density-Functional Calculation of Core-Electron Binding Energies of Some Substituted Benzenes

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概要

• 論文の詳細を見る
• Chemical Society of Japanの論文
• 2000-11-15

著者

• Chong Delano

  Department Of Chemistry Universtiy Of British Columbia

• Chong Delano

  Department Of Chemistry 2036 Main Mall University Of British Columbia

• Takahata Yuji

  Instituto De Quimica Universidade Estadual De Campinas

関連論文

• Theoretical X-Ray Photoelectron and Emission Spectra of C-, N-, and O-Containing Polymers by Density-Functional Theory Calculations using Model Molecules
• Theoretical Valance Photoelectron and UV-visible Absorption Spectra of Four Stable Conductive Moleculues Obtained by MO Calculations
• Simulation of the Valence X-Ray Photoelectron Spectra of 16 Polymers by the Semiempirical HAM/3 MO Method Using the Model Molecules
• Electron Binding Energies of Si 2p and S 2p for Si- and S-containing Substances by DFT Calculations Using the Model Molecules
• Theoretical Valence XPS and UV-Visible Absorption Spectra of Four Leuco Dyes Using MO Calculations
• Analysis of X-Ray Photoelectron Spectra of Silicon-Based Polymers by deMon Density-Functional Calculations Using Model Molecules
• Accurate Density-Functional Calculation of Core-Electron Binding Energies of Some Substituted Benzenes

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