Recent Advances In Density Functional Methods, Part Iii
World Scientific Publishing Co Pte Ltd (Verlag)
978-981-02-4825-3 (ISBN)
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Applications of Density Functional Theory in Solid State Chemistry (S T Bromley et al.) On the Calculation of Ionization Energies within Density Functional Theory (H Chermette et al.) Modeling Molecular Magnetism Using DFT (I Ciofini et al.) Structural and Magnetic Properties of Model Spin Probes in Aqueous Solution: An Application of Recent Developments in Density Functional Theory and in the Polarizable Continuum Model (R Improta & V Barone) Correlation Energy for Isoelectronic Series of Atoms by the Line Integral Method (V V Karasiev et al.) Theory for a Single Excited State Differential Virial Theorem (? Nagy) Studies of the Nonadditive Kinetic Energy Functional and the Coupling between Electronic and Geometrical Structures (R F Nalewajski) The Description of the Photoionization Process by the B-Spline Density Functional Method (M Stener & P Decleva) Prediction of the Structural and Electronic Properties of Polymeric Systems (M E Vaschetto et al.) Hydroxyl Radical Reactions in Biological Media (S D Wetmore et al.) and other papers
Reihe/Serie | Recent Advances In Computational Chemistry ; 1 |
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Verlagsort | Singapore |
Sprache | englisch |
Themenwelt | Naturwissenschaften ► Chemie |
ISBN-10 | 981-02-4825-3 / 9810248253 |
ISBN-13 | 978-981-02-4825-3 / 9789810248253 |
Zustand | Neuware |
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