Export 20 results:
Filters: Keyword is density  [Clear All Filters]
2009
Liu, L. V. ; Tian, W. Q. ; Wang*, Y. A. Ab Initio Studies Of Vacancy-Defected Fullerenes And Single-Walled Carbon Nanotubes. Int. J. Quantum Chem. 2009, 109, 3441-3456.
Koga, Y. ; Westh, P. ; Moriya, Y. ; Kawasaki, K. ; Atake, T. High Temperature End Of The So-Called "koga Line": Anomalies In Temperature Derivatives Of Heat Capacities. Journal of Physical Chemistry B 2009, 113, 5885-5890.
Zhang, Y. A. ; Wang*, Y. A. Perturbative Total Energy Evaluation In Self-Consistent Field Iterations: Tests On Molecular Systems. J. Chem. Phys. 2009, 130, 144116.
Kizhakkedathu, J. N. ; Janzen, J. ; Le, Y. ; Kainthan, R. K. ; Brooks, D. E. Poly(Oligo(Ethylene Glycol)Acrylamide) Brushes By Surface Initiated Polymerization: Effect Of Macromonomer Chain Length On Brush Growth And Protein Adsorption From Blood Plasma. Langmuir 2009, 25, 3794-3801.
Zou, Y. Q. ; Kizhakkedathu, J. N. ; Brooks, D. E. Surface Modification Of Polyvinyl Chloride Sheets Via Growth Of Hydrophilic Polymer Brushes. Macromolecules 2009, 42, 3258-3268.
2008
Tayyari*, S. F. ; Najafi, A. ; Afzali, R. ; Emamian, S. ; Wang, Y. A. Structure And Vibrational Assignment Of The Enol Form Of 1-Chloro-1,1 Difluoro-Pentane-2,4-Dione. J. Mol. Struct. 2008, 878, 10-21.
2006
Liu, L. V. ; Tian, W. Q. ; Wang*, Y. A. Chemical Reaction Of Nitric Oxides With The 5-1Db Defect Of The Single-Walled Carbon Nanotube. J. Phys. Chem. B 2006, 110, 1999-2005.
Bernhardt, E. ; Finze, M. ; Willner, H. ; Lehmann, C. W. ; Aubke, F. Salts Of The Cobalt(I) Complexes [Co(Co)(5)](+) And[Co(Co)(2)(No)(2)](+) And The Lewis Acid-Base Adduct [Co2(Co)(7)Co-B(Cf3)(3)]. Chemistry-a European Journal 2006, 12, 8276-8283.
2005
Lee, K. ; Legzdins, P. ; Pamplin, C. B. ; Patrick, B. O. ; Wada, K. Intermolecular Activation Of Hydrocarbon C-H Bonds Initiated By The Tungsten Hydrocarbyl Hydrido Complexes Cp*w(No)(R)(H)(Pme3) (R = Alkyl, Aryl). Organometallics 2005, 24, 638-649.
2003
Kizhakkedathu, J. N. ; Goodman, D. ; Brooks, D. E. Synthesis Of Poly(N,n-Dimethylacrylamide) Brushes From Functionalized Latex Surfaces By Aqueous Atom Transfer Radical Polymerization. In Advances in Controlled/Living Radical Polymerization; Matyjaszewski, K. ; Advances in Controlled/Living Radical Polymerization; Amer Chemical Soc: Washington, 2003; Vol. 854, pp. 316-330.
Hayton, T. W. ; McNeil, W. S. ; Patrick, B. O. ; Legzdins, P. Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages In Base-Stabilized Fe(No)(3)(+) Complexes. Journal of the American Chemical Society 2003, 125, 12935-12944.
2002
Otsuka, T. ; Koizumi, S. ; Endo, K. ; Chong, D. P. Theoretical X-Ray Photoelectron And Auger Electron Spectra Of Polymers By Density Functional Theory Calculations Using Model Dimers. Journal of Molecular Structure-Theochem 2002, 619, 241-247.
2001
Suzuki, Y. ; Matsuo, H. ; Koga, Y. ; Mukae, K. ; Kawakita, T. ; Sawamura, S. Effects Of Pressure And Temperature On The Solubility Of Monosodium L-Glutamate Monohydrate In Water. High Pressure Research 2001, 21, 93-104.
Burnell, E. E. ; de Lange, C. A. ; Gaemers, S. Pressure-Induced Change In Orientational Order Of Solutes In Liquid Crystals. Chemical Physics Letters 2001, 337, 248-254.
1998
Bowser, M. T. ; Kranack, A. R. ; Chen, D. D. Y. Analyte-Additive Interactions In Nonaqueous Capillary Electrophoresis: A Critical Review. Trac-Trends in Analytical Chemistry 1998, 17, 424-434.
Chong, D. P. ; Hu, C. H. Density-Functional Calculation Of The Inner-Shell Spectra For Two Stable Enol Tautomers: Acetylacetone And Malonaldehyde. Journal of Electron Spectroscopy and Related Phenomena 1998, 94, 181-185.
Yoshimori, A. ; Day, T. J. F. ; Patey, G. N. An Investigation Of Dynamical Density Functional Theory For Solvation In Simple Mixtures. Journal of Chemical Physics 1998, 108, 6378-6386.
1997
Bureau, C. ; Chong, D. P. ; Lecayon, G. ; Delhalle, J. Accurate Density Functional Calculation Of Core Electron Binding Energies .5. Application To Nitriles. Model Molecules For Polyacrylonitrile Revisited. Journal of Electron Spectroscopy and Related Phenomena 1997, 83, 227-234.
1996
Koga, Y. ; Westh, P. ; Sawamura, S. ; Taniguchi, Y. Normalized Fluctuations, H2O Vs N-Hexane: Site-Correlated Percolation. Journal of Chemical Physics 1996, 105, 2028-2033.
1995
Rolke, J. ; Cann, N. ; Zheng, Y. ; Hollebone, B. P. ; Brion*, C. E. ; Wang, Y. A. ; Davidson, E. R. Momentum Profiles For Open-Shell Molecules: Studies Of The Homo's Of No, O2, And No2 By Electron Momentum Spectroscopy And Scf, Post-Hartree-Fock And Dft Calculations. Chem. Phys. 1995, 201, 1-21.