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2011
Martin-Diaconescu, V. ; Perepichka, I. ; D Bohle, S. ; Kennepohl, P. Electronic Structure Of S -Nitrosothiols From Sulfur K-Edge X-Ray Absorption Spectroscopy. Can. J. Chem. 2011, 89, 93–97.
2009
Bates, J. €I. ; Kennepohl, P. ; Gates, D. P. 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.
Martin-Diaconescu, V. ; Kennepohl, P. Effects Of Hyperconjugation On The Electronic Structure And Photoreactivity Of Organic Sulfonyl Chlorides. Inorg. Chem. 2009, 48, 1038–44.
Segala, M. ; Chong, D. P. 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.
Sriskandakumar, T. ; Petzold, H. ; Bruijnincx, P. C. A. ; Habtemariam, A. ; Sadler, P. J. ; Kennepohl, P. 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.
Chong, D. P. Theoretical Study Of The Electronic Spectra Of S-Triazine Vapour. Canadian Journal of Chemistry-Revue Canadienne De Chimie 2009, 87, 1148-1153.
2008
Takahata, Y. ; Wulfman, C. E. ; Chong, D. P. 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.
Getty, K. ; Delgado-Jaime, M. Ulises; Kennepohl, P. Assignment Of Pre-Edge Features In The Ru K-Edge X-Ray Absorption Spectra Of Organometallic Ruthenium Complexes. Inorg. Chim. Acta 2008, 361, 1059.
Chong, D. P. ; Segala, M. ; Takahata, Y. ; Baerends, E. J. Density Functional Theory Calculation Of 2P Spectra Of Sih4, Ph3, H2S, Hcl, And Ar. International Journal of Quantum Chemistry 2008, 108, 1358-1368.
Praetorius, J. M. ; Allen, D. P. ; Wang, R. ; Webb, J. D. ; Grein, F. ; Kennepohl, P. ; Crudden, C. M. N-Heterocyclic Carbene Complexes Of Rh: Reaction With Dioxygen Without Oxidation. J. Am. Chem. Soc. 2008, 130, 3724–5.
2007
Getty, K. ; Delgado-Jaime, M. Ulises; Kennepohl, P. 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.
Martin-Diaconescu, V. ; Kennepohl, P. Sulfur K-Edge Xas As A Probe Of Sulfur-Centered Radical Intermediates. J. Am. Chem. Soc. 2007, 129, 3034–5.
2006
Takahata, Y. ; Okamoto, A. K. ; Chong, D. P. Dft Calculation Of Core-Electron Binding Energies Of Pyrimidine And Purine Bases. International Journal of Quantum Chemistry 2006, 106, 2581-2586.
2005
Chong, D. P. Density Functional Calculation Of K-Shell Spectra Of Small Molecules. Journal of Electron Spectroscopy and Related Phenomena 2005, 148, 115-121.
Takahata, Y. ; Chong, D. P. 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.
2004
Motozaki, W. ; Otsuka, T. ; Endo, K. ; Chong, D. P. 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.
Takahata, Y. ; Chong, D. P. ; Segala, M. 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.
2001
Shapley, W. A. ; Chong, D. P. Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
2000
Chong, D. P. ; Bureau, C. 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.
Chong, D. P. ; Cavigliasso, G. Density Functional Calculation Of Core-Electron Binding Energies Of Isomers Of C3H6O2 And C3H5No. International Journal of Quantum Chemistry 2000, 76, 44-50.