| Bader, Richard F.W.: Atoms in molecules: a quantum theory. Clarendon Press, 1995. | TC Mod. Bader 95 |
| Gasteiger, Johann: Chemoinformatics: a textbook. Wiley-VCH, 2003 | TC Mod. Chemoinf 03 |
| Cramer, Christopher J.: Essentials of computational chemistry: theories and models. Wiley, 2002. | TC Model: Cramer 00 |
| Comba, P.; Hambley, T.W.: Molecular Modeling of Inorganic Compounds. 2. Aufl., Wiley-VCH, 2001. | TC Model: Comba 01 |
| Foresman, J.B.; Frisch A.: Exploring Chemistry with Electronic Structure Methods. 2nd Edtion. Gaussian, 1996. | TC Lb: Fore 96 |
| Goodman, Johnathan M.: Chemical Applications of Molecular Modeling. RS-C Cambridge, 1998. | TC Model: |
| Jeffrey, George A.: An Introduction to Hydrogen Bonding. Oxford University Press, 1997. | TC Lb: Jeff 97 |
| Heilbronner, Edgar: Reflections on symmetry: in chemistry . and elsewhere. VCH, 1993. | OC St: Heil 93 |
| Hinchliffe, Alan: Modelling molecular structures. 2. edition. Wiley, 2000. | TC Model: Hinch 00 |
| Hinchliffe, Alan: Molecular modelling for beginners. Wiley, 2003. | TC Model: Hinch 03 |
| Hinchliffe; Alan: Chemical modelling from atoms to liquids. Wiley; 1999. | TC Model: Hinch 99 |
| Jensen, Frank: Interoduction to Computational Chemistry. Wiley; 2002. | TC Model: Jensen 02 |
| Koch, Wolfram; Holthausen, Max C.: A chemists guide to density functional theory. Wiley-VCH, 2000. | TC Model: Koch 00 |
| Runz, R.W.: Molecular Modelling für Anwender. Teubner, 1991. | TC Model: Kunz 91 |
| Kutzelnigg, Werner: Einführung in die Theoretische Chemie, Band 1: Quantenchemische Grundlagen. VCH, 1992. | TC Lb: Kutz 92 |
| Kutzelnigg, Werner: Einführung in die Theoretische Chemie, Band 2: Quantenchemische Grundlagen. VCH, 1994. | TC Lb: Kutz 94 |
| Kutzelnigg, Werner: Einführung in die Theoretische Chemie. VCH, 2002. | TC Lb: Kutz 02 |
| Leach, Andrew R.: Molecular Modelling. Lomgman, 1998. | TC Model: Leach 98 |
| Höltje, H.D.: Molecular modelling : basic principles and applications. 2. edition. Wiley-VCH, 2003 | TC Model: Mole 03 |
| Rappe, Anthony K., Casewit, Carla J.: Molecular mechanics across chemistry. University Science Books, 1997. | TC Model: Rappe 97 |
| Seminario, J.M.: Recent developments and applications to modern density functional theory. Elsevier, 1996. (Theoretical and computational chemistry; 4) | TC Model: Recent 96 |
| Reviews in computational chemistry / ed. by Kenny Lipkowitz, Donald Boyd. Wiley-VCH | |
| Vol. 6.1995 | TC Model: Reviews 95 |
| Vol. 7.1996 | TC Model: Reviews 96 |
| Vol. 8.1996 | TC Model: Reviews 96 |
| Rogers, Donald W.: Computational chemistry using the PC. 3. edition. Wiley-Interscience, 2003. | TC Model: Roge 03 |
| Schleyer, Paul v. R.: Encyclopedia of computational chemistry. Wiley; 1998. | TC Model: Encyclopedia '98 |
| Springborg, Michael: Methods of electronic-structure calculations: from molecules to solids. Wiley; 2000. | TC Lb: Spring 00 |
| Szabo, Attila: Modern quantum chemistry: introduction to advanced electronic structure theory. Dover Publications, 1996. | PC Quant: Szabo 96 |
| Veszpremi, Tamas: Quantum chemistry: fundamentals to applications. Kluwer Academic, 1999. | PC Quant: Vesz 99 |
| Young, David C.: a practical guide for applying techniques to real-world problems. Wiley-Interscience, 2001. | TC Model: Young 01. |
| Zupan, Jure; Gasteiger Johann: Neural networks in chemistry and drug design. 2. edition. Wiley-VCH, 1999. | TC Model: Zupan 99 |
Hardware
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25 Centrino and dual-core notebooks as personal workstations |
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2 servers for infrastucture (workshops, summer school) |
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Opteron-Cluster: Quad-Xeon Server + 42 Dual and Quad-Core Opteron Nodes |
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Software
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ADF |
|
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Gaussian03 |
|
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Gaussview 3.0 |
|
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Jaguar |
|
|
Macromodel |
|
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Turbomole 5.9 |
Ahlrichs / Cosmologic |
|
Amber 9 |
University of California |