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hakuna木虫 (知名作家)
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Introduction to Advanced Topics of Computational Chemistry
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算是僵尸书吧，十多年了，有点参考价值 下载地址：http://karin.fq.uh.cu/advcompchem/ 章节还是比较齐全的  Preface I. Methods: 1.Are There Atoms in Molecules? R. Bader 1 2. Second Quantization of Fermions. M. Piris 29 3. Basis Sets for Computational Chemistry. J.M. García de la Vega and B. Miguel 41 4. Coupled Cluster Approach for Molecular Electronic Structure: An Elementary Introduction. J. Noga 71 II. Molecules in their environment 5. Molecular Magnetic Properties. P. Lazzeretti 105 6. Ab Initio Theoretical Methods for Studying Intermolecular Forces. G. Alagona and C. Ghio 137 7. Ab Initio Evaluation of the Strength of Hydrogen Bonding and Stacking Interactions. G. Alagona and C. Ghio 159 8. Sytems in Solution. B. Mennucci, M. Cossi, J. Tomasi 185 III. Applications 9. Permutational Symmetry and Role of Nuclear Spin in Vibrational Spectra. The Alkali Metal Trimers. A.J.C. Varandas and Z.R. Xu 219 10. Stabilization Calculations for Highly Excited Vibrational Levels of the HeBr 2 van der Waals Cluster. Tomás González-Lezana, Marta I. Hernández, Gerardo Delgado-Barrio and Pablo Villarreal 285 11. Computational Model for the Electronic Excitation and Deactivation of Glyoxal. Luis A. Montero, Agustín Lage-Castellanos, Ana L. Montero and Jürgen Fabian 309 12. Interstellar Molecules. A. Palma and L. Sandoval 323 13. Chemical Reactivity in Interstellar Space. Gaston Berthier 335 |
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