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Computational Study Of The Structures And Photoelectron Spectra Of Gas-Phase Nitrosamines: Dimethylnitrosamine, N-Nitrosopyrrolidine And 1-Nitrosoaziridine. Journal of Electron Spectroscopy and Related Phenomena 2019, 232, 35 - 39.
Theoretical Study Of The Electronic Spectra Of S-Triazine Vapour. Canadian Journal of Chemistry-Revue Canadienne De Chimie 2009, 87, 1148-1153.
Density Functional Theory Calculation Of 2P Core-Electron Binding Energies Of Si, P, S, Cl, And Ar In Gas-Phase Molecules. Journal of Electron Spectroscopy and Related Phenomena 2006, 151, 9-13.
Dft Calculation Of Core-Electron Binding Energies Of Pyrimidine And Purine Bases. International Journal of Quantum Chemistry 2006, 106, 2581-2586.
Pre-Treatments Applied To Oxidized Aluminum Surfaces To Modify The Interfacial Bonding With Bis-1,2-(Triethoxysilyl)Ethane (Btse) - Part I. High-Purity Al With Native Oxide. Applied Surface Science 2005, 252, 1293-1304.
Pre-Treatments Applied To Oxidized Aluminum Surfaces To Modify The Interfacial Bonding With Bis-1,2-(Triethoxysilyl)Ethane (Btse) - Part Ii. Anodized 7075-T6 Al Alloy. Applied Surface Science 2005, 252, 1305-1312.
Electron Binding Energies Of Si 2P And S 2P For Si- And S-Containing Substances By Dft Calculations Using The Model Molecules. Polymer Journal 2004, 36, 600-606.
Is Ham/3 (Hydrogenic Atoms In Molecules, Version 3) A Semiempirical Version Of Dft (Density Functional Theory) For Ionization Processes?. Journal of the Brazilian Chemical Society 2004, 15, 282-291.
Dft Calculation Of Core-Electron Binding Energies. Journal of Electron Spectroscopy and Related Phenomena 2003, 133, 69-76.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set - Vii. Effects Of Poorer Geometry And Poorer Basis Sets. Journal of Electron Spectroscopy and Related Phenomena 2000, 106, 1-6.
Accurate Density Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Iv. Application To Isomers Of C3H6O, C3H3No, And C6H6. Journal of Chemical Physics 1998, 108, 8950-8956.
Recent Advances In The Practical And Accurate Calculation Of Core And Valence Xps Spectra Of Polymers: From Interpretation To Simulation?. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms 1997, 131, 1-12.
Analysis Of Valence Xps Of (Ch2-Chr)(N) (R=H, Ch3, Oh And F), (Ch2-Ch2-Nh)(N) And (Ch2-Ch2-O)(N) Polymers By The Semiempirical Ham/3 Mo Method Using The N-Mer (N=2, 3, 4, 5) Model. Journal of Physics and Chemistry of Solids 1995, 56, 1131-1140.
Simulation Of The Valence X-Ray Photoelectron-Spectra Of 16 Polymers By The Semiempirical Ham/3 Mo Method Using The Model Molecules. Bulletin of the Chemical Society of Japan 1995, 68, 528-538.