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Electronic Structure Of S -Nitrosothiols From Sulfur K-Edge X-Ray Absorption Spectroscopy. Can. J. Chem. 2011, 89, 93–97.
Abnormal Reactivity Of An N-Heterocyclic Carbene (Nhc) With A Phosphaalkene: A Route To A 4-Phosphino-Substituted Nhc. Angew. Chem. Int. Ed. 2009, 48, 9844–9847.
Effects Of Hyperconjugation On The Electronic Structure And Photoreactivity Of Organic Sulfonyl Chlorides. Inorg. Chem. 2009, 48, 1038–44.
An Evaluation Of Exchange-Correlation Functionals For The Calculations Of The Ionization Energies For Atoms And Molecules. Journal of Electron Spectroscopy and Related Phenomena 2009, 171, 18-23.
Influence Of Oxygenation On The Reactivity Of Ruthenium-Thiolato Bonds In Arene Anticancer Complexes: Insights From Xas And Dft. J. Am. Chem. Soc. 2009, 131, 13355–61.
Theoretical Study Of The Electronic Spectra Of S-Triazine Vapour. Canadian Journal of Chemistry-Revue Canadienne De Chimie 2009, 87, 1148-1153.
Accurate Calculation Of N1S And C1S Core Electron Binding Energies Of Substituted Pyridines. Correlation With Basicity And With Hammett Substituent Constants. Journal of Molecular Structure-Theochem 2008, 863, 33-38.
Assignment Of Pre-Edge Features In The Ru K-Edge X-Ray Absorption Spectra Of Organometallic Ruthenium Complexes. Inorg. Chim. Acta 2008, 361, 1059.
Density Functional Theory Calculation Of 2P Spectra Of Sih4, Ph3, H2S, Hcl, And Ar. International Journal of Quantum Chemistry 2008, 108, 1358-1368.
N-Heterocyclic Carbene Complexes Of Rh: Reaction With Dioxygen Without Oxidation. J. Am. Chem. Soc. 2008, 130, 3724–5.
An Electronic Rationale For Observed Initiation Rates In Ruthenium-Mediated Olefin Metathesis: Charge Donation In Phosphine And N-Heterocyclic Carbene Ligands. J. Am. Chem. Soc. 2007, 129, 15774–6.
Sulfur K-Edge Xas As A Probe Of Sulfur-Centered Radical Intermediates. J. Am. Chem. Soc. 2007, 129, 3034–5.
Dft Calculation Of Core-Electron Binding Energies Of Pyrimidine And Purine Bases. International Journal of Quantum Chemistry 2006, 106, 2581-2586.
Density Functional Calculation Of K-Shell Spectra Of Small Molecules. Journal of Electron Spectroscopy and Related Phenomena 2005, 148, 115-121.
Estimation Of Hammett Sigma Constants Of Substituted Benzenes Through Accurate Density-Functional Calculation Of Core-Electron Binding Energy Shifts. International Journal of Quantum Chemistry 2005, 103, 509-515.
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.
Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
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.
Density Functional Calculation Of Core-Electron Binding Energies Of Isomers Of C3H6O2 And C3H5No. International Journal of Quantum Chemistry 2000, 76, 44-50.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Vi: Extension To Boron-Containing Molecules. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1999, 77, 24-27.