|  | | | A B C D E F G I L M P Q R S T U (in alphabetical order by title)
Clark, Tim A Handbook of Computational Chemistry A Practical Guide to Chemical Structure and Energy Calculations ISBN-10: 0-471-88211-9 ISBN-13: 978-0-471-88211-4
Mazziotti, David A. / Prigogine, I. / Rice, Stuart A. (eds.) Advances in Chemical Physics Volume 134: Reduced-Density-Matrix Mechanics. With Application to Many-Electron Atoms and Molecules ISBN-10: 0-471-79056-7 ISBN-13: 978-0-471-79056-3
Fliszar, Sandor Atomic Charges, Bond Properties, and Molecular Energies ISBN-10: 0-470-37622-8 ISBN-13: 978-0-470-37622-5
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Jurs, Peter C. / Isenhour, Thomas L. / Wilkins, Charles L. BASIC Programming for Chemists An Introduction ISBN-10: 0-471-85613-4 ISBN-13: 978-0-471-85613-9
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Kaupp, Martin / Bühl, Michael / Malkin, Vladimir G. (eds.) Calculation of NMR and EPR Parameters Theory and Applications ISBN-10: 3-527-30779-6 ISBN-13: 978-3-527-30779-1
Dobre, Tanase Gh. / Sanchez Marcano, Jose G. Chemical Engineering Modelling, Simulation and Similitude ISBN-10: 3-527-30607-2 ISBN-13: 978-3-527-30607-7
Hinchliffe, Alan Chemical Modeling From Atoms to Liquids ISBN-10: 0-471-99903-2 ISBN-13: 978-0-471-99903-4
Hinchliffe, Alan Chemical Modeling From Atoms to Liquids ISBN-10: 0-471-99904-0 ISBN-13: 978-0-471-99904-1
Kee, Robert J. / Coltrin, Michael E. / Glarborg, Peter Chemically Reacting Flow Theory and Practice ISBN-10: 0-471-26179-3 ISBN-13: 978-0-471-26179-7
Gasteiger, Johann / Engel, Thomas (eds.) Chemoinformatics A Textbook ISBN-10: 3-527-30681-1 ISBN-13: 978-3-527-30681-7
Chau, Foo-Tim / Liang, Yi-Zeng / Gao, Junbin / Shao, Xue-Guang Chemometrics From Basics to Wavelet Transform ISBN-10: 0-471-20242-8 ISBN-13: 978-0-471-20242-4
Young, David Computational Chemistry A Practical Guide for Applying Techniques to Real World Problems ISBN-10: 0-471-33368-9 ISBN-13: 978-0-471-33368-5
Dronskowski, Richard Computational Chemistry of Solid State Materials A Guide for Materials Scientists, Chemists, Physicists and others ISBN-10: 3-527-31410-5 ISBN-13: 978-3-527-31410-2
Rogers, Donald W. Computational Chemistry Using the PC ISBN-10: 0-471-42800-0 ISBN-13: 978-0-471-42800-8
Heine, Thomas / Joswig, Jan-Ole / Gelessus, Achim Computational Chemistry Workbook Learning Through Examples ISBN-10: 3-527-32442-9 ISBN-13: 978-3-527-32442-2
Young, D. C. Computational Drug Design A Guide for Computational and Medicinal Chemists ISBN-10: 0-470-12685-X ISBN-13: 978-0-470-12685-1
Morokuma, Keiji / Musaev, Djamaladdin G. (eds.) Computational Modeling for Homogeneous and Enzymatic Catalysis A Knowledge-Base for Designing Efficient Catalysts ISBN-10: 3-527-31843-7 ISBN-13: 978-3-527-31843-8
Bachrach, Steven M. Computational Organic Chemistry ISBN-10: 0-471-71342-2 ISBN-13: 978-0-471-71342-5
Ekins, Sean (ed.) Computational Toxicology Risk Assessment for Pharmaceutical and Environmental Chemicals ISBN-10: 0-470-04962-6 ISBN-13: 978-0-470-04962-4
Jurs, Peter C. Computer Software Applications in Chemistry ISBN-10: 0-471-10587-2 ISBN-13: 978-0-471-10587-9
Stewart, Warren E. / Caracotsios, Michael Computer-Aided Modeling of Reactive Systems ISBN-10: 0-470-27495-6 ISBN-13: 978-0-470-27495-8
Pretsch, Ernö / Tóth, Gábór / Munk, Morton E. / Badertscher, Martin Computer-Aided Structure Elucidation Spectra Interpretation and Structure Generation ISBN-10: 3-527-30640-4 ISBN-13: 978-3-527-30640-4
Mennucci, Benedetta / Cammi, Roberto (eds.) Continuum Solvation Models in Chemical Physics From Theory to Applications ISBN-10: 0-470-02938-2 ISBN-13: 978-0-470-02938-1
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Sholl, David / Steckel, Janice A Density Functional Theory A Practical Introduction ISBN-10: 0-470-37317-2 ISBN-13: 978-0-470-37317-0
Springborg, Michael (ed.) Density-Functional Methods in Chemistry and Materials Science ISBN-10: 0-471-96759-9 ISBN-13: 978-0-471-96759-0
Li, Fan Developing Chemical Information Systems An Object-Oriented Approach Using Enterprise Java ISBN-10: 0-471-75157-X ISBN-13: 978-0-471-75157-1
Hancock, John M. / Zvelebil, Marketa J. (eds.) Dictionary of Bioinformatics and Computational Biology ISBN-10: 0-471-43622-4 ISBN-13: 978-0-471-43622-5
Miller, Benjamin L. (ed.) Dynamic Combinatorial Chemistry In Drug Discovery, Bioorganic Chemistry, and Materials Science ISBN-10: 0-470-09603-9 ISBN-13: 978-0-470-09603-1
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Kutzelnigg, Werner Einführung in die Theoretische Chemie ISBN-10: 3-527-30609-9 ISBN-13: 978-3-527-30609-1

von Ragué Schleyer, Paul (ed.) Encyclopedia of Computational Chemistry ISBN-10: 0-471-96588-X ISBN-13: 978-0-471-96588-6
Cramer, Christopher J. Essentials of Computational Chemistry Theories and Models ISBN-10: 0-470-09182-7 ISBN-13: 978-0-470-09182-1
Billo, E. Joseph Excel for Scientists and Engineers Numerical Methods ISBN-10: 0-471-38734-7 ISBN-13: 978-0-471-38734-3
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Jahnke, Wolfgang / Erlanson, Daniel A. (eds.) Fragment-based Approaches in Drug Discovery ISBN-10: 3-527-31291-9 ISBN-13: 978-3-527-31291-7
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Lackey, Karen Gene Family Targeted Molecular Design ISBN-10: 0-470-41289-5 ISBN-13: 978-0-470-41289-3
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Gottstein, Günter (ed.) Integral Materials Modeling Towards Physics-Based Through-Process Models ISBN-10: 3-527-31711-2 ISBN-13: 978-3-527-31711-0
Jensen, Frank Introduction to Computational Chemistry ISBN-10: 0-470-01186-6 ISBN-13: 978-0-470-01186-7
Jensen, Frank Introduction to Computational Chemistry ISBN-10: 0-470-01187-4 ISBN-13: 978-0-470-01187-4
Ratzlaff, Kenneth L. Introduction to Computer-Assisted Experimentation ISBN-10: 0-471-86525-7 ISBN-13: 978-0-471-86525-4
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Rankovic, Zoran / Morphy, Richard Lead Generation Approaches in Drug Discovery ISBN-10: 0-470-25761-X ISBN-13: 978-0-470-25761-6
Rognan, Didier (ed.) Ligand Design for G Protein-coupled Receptors ISBN-10: 3-527-31284-6 ISBN-13: 978-3-527-31284-9
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Magnasco, Valerio Methods of Molecular Quantum Mechanics An Introduction to Electronic Molecular Structure ISBN-10: 0-470-68441-0 ISBN-13: 978-0-470-68441-2
Magnasco, Valerio Methods of Molecular Quantum Mechanics An Introduction to Electronic Molecular Structure ISBN-10: 0-470-68442-9 ISBN-13: 978-0-470-68442-9
Gujrati, Purushottam D. / Leonov, Arkady I. (eds.) Modeling and Simulation in Polymers ISBN-10: 3-527-32415-1 ISBN-13: 978-3-527-32415-6
Feig, Michael (ed.) Modeling Solvent Environments Applications to Simulations of Biomolecules ISBN-10: 3-527-32421-6 ISBN-13: 978-3-527-32421-7
Hinchliffe, Alan Modelling Molecular Structures ISBN-10: 0-471-48993-X ISBN-13: 978-0-471-48993-1
Schneider, Gisbert / Baringhaus, Karl-Heinz Molecular Design Concepts and Applications ISBN-10: 3-527-31432-6 ISBN-13: 978-3-527-31432-4
Höltje, Hans-Dieter / Sippl, Wolfgang / Rognan, Didier / Folkers, Gerd Molecular Modeling Basic Principles and Applications ISBN-10: 3-527-31568-3 ISBN-13: 978-3-527-31568-0
Comba, Peter / Hambley, Trevor W. / Martin, Bodo Molecular Modeling of Inorganic Compounds ISBN-10: 3-527-31799-6 ISBN-13: 978-3-527-31799-8
Hinchliffe, Alan Molecular Modelling for Beginners ISBN-10: 0-470-51313-6 ISBN-13: 978-0-470-51313-2
Hinchliffe, Alan Molecular Modelling for Beginners ISBN-10: 0-470-51314-4 ISBN-13: 978-0-470-51314-9
Galiatsatos, Vassilios Molecular Simulation Methods for Predicting Polymer Properties ISBN-10: 0-471-46481-3 ISBN-13: 978-0-471-46481-5
Allinger, Norman L. Molecular Structure Understanding Steric and Electronic Effects from Molecular Mechanics ISBN-10: 0-470-19557-6 ISBN-13: 978-0-470-19557-4
Meyer, Hans-Dieter / Gatti, Fabien / Worth, Graham A. (eds.) Multidimensional Quantum Dynamics MCTDH Theory and Applications ISBN-10: 3-527-32018-0 ISBN-13: 978-3-527-32018-9
King, Michael / Gee, David Multiscale Modeling of Particle Interactions Applications in Biology and Nanotechnology ISBN-10: 0-470-24235-3 ISBN-13: 978-0-470-24235-3
Ross, Richard B. / Mohanty, Sanat (eds.) Multiscale Simulation Methods for Nanomaterials ISBN-10: 0-470-10528-3 ISBN-13: 978-0-470-10528-3
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Yuryev, Anton (ed.) Pathway Analysis for Drug Discovery Computational Infrastructure and Applications ISBN-10: 0-470-10705-7 ISBN-13: 978-0-470-10705-8
Langer, Thierry / Hoffmann, Remy D. (eds.) Pharmacophores and Pharmacophore Searches ISBN-10: 3-527-31250-1 ISBN-13: 978-3-527-31250-4
Herlach, Dieter M. (ed.) Phase Transformations in Multicomponent Melts ISBN-10: 3-527-31994-8 ISBN-13: 978-3-527-31994-7
Buchner, Johannes / Kiefhaber, Thomas (eds.) Protein Folding Handbook ISBN-10: 3-527-30784-2 ISBN-13: 978-3-527-30784-5
Tramontano, Anna Protein Structure Prediction Concepts and Applications ISBN-10: 3-527-31167-X ISBN-13: 978-3-527-31167-5
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Krishnan, Kannan / Andersen, Melvin (eds.) Quantitative Modeling in Toxicology ISBN-10: 0-470-99809-1 ISBN-13: 978-0-470-99809-0
Matta, Chérif F. (ed.) Quantum Biochemistry ISBN-10: 3-527-32322-8 ISBN-13: 978-3-527-32322-7
Klapötke, Thomas M. / Schulz, Axel Quantum Chemical Methods in Main-Group Chemistry ISBN-10: 0-471-97242-8 ISBN-13: 978-0-471-97242-6
Calais, Jean-Louis Quantum Chemistry Workbook Basic Concepts and Procedures in the Theory of the Electronic Structure of Matter ISBN-10: 0-471-59435-0 ISBN-13: 978-0-471-59435-2
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Reiher, Markus / Wolf, Alexander Relativistic Quantum Chemistry The Fundamental Theory of Molecular Science ISBN-10: 3-527-31292-7 ISBN-13: 978-3-527-31292-4
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 1 ISBN-10: 0-471-18728-3 ISBN-13: 978-0-471-18728-8
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 2 ISBN-10: 0-471-18810-7 ISBN-13: 978-0-471-18810-0
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 3 ISBN-10: 0-471-18853-0 ISBN-13: 978-0-471-18853-7
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 4 ISBN-10: 0-471-18854-9 ISBN-13: 978-0-471-18854-4
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 5 ISBN-10: 0-471-18866-2 ISBN-13: 978-0-471-18866-7
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 6 ISBN-10: 0-471-18596-5 ISBN-13: 978-0-471-18596-3
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 7 ISBN-10: 0-471-18628-7 ISBN-13: 978-0-471-18628-1
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 8 ISBN-10: 0-471-18638-4 ISBN-13: 978-0-471-18638-0
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 9 ISBN-10: 0-471-18639-2 ISBN-13: 978-0-471-18639-7
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 10 ISBN-10: 0-471-18648-1 ISBN-13: 978-0-471-18648-9
Lipkowitz, Kenneth B. / Cundari, Thomas R. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 23 ISBN-10: 0-470-08201-1 ISBN-13: 978-0-470-08201-0
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 11 ISBN-10: 0-471-19248-1 ISBN-13: 978-0-471-19248-0
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 12 ISBN-10: 0-471-24671-9 ISBN-13: 978-0-471-24671-8
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 13 ISBN-10: 0-471-33135-X ISBN-13: 978-0-471-33135-3
Lipkowitz, Kenneth B. / Boyd, Donald B. (eds.) Reviews in Computational Chemistry Volume 14 ISBN-10: 0-471-35495-3 ISBN-13: 978-0-471-35495-6
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Seavey, Kevin / Liu, Y. A. Step-Growth Polymerization Process Modeling and Product Design ISBN-10: 0-470-23823-2 ISBN-13: 978-0-470-23823-3
Gu, Jenny / Bourne, Philip E. (eds.) Structural Bioinformatics ISBN-10: 0-470-18105-2 ISBN-13: 978-0-470-18105-8
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Rode, Bernd Michael / Hofer, Thomas S. / Kugler, Michael D. The Basics of Theoretical and Computational Chemistry ISBN-10: 3-527-31773-2 ISBN-13: 978-3-527-31773-8
Shaik, Sason S. / Hiberty, Philippe C. The Chemist's Guide to Valence Bond Theory ISBN-10: 0-470-03735-0 ISBN-13: 978-0-470-03735-5
Matta, Chérif F. / Boyd, Russell J. (eds.) The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design ISBN-10: 3-527-30748-6 ISBN-13: 978-3-527-30748-7
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Ullmann's Modeling and Simulation ISBN-10: 3-527-31605-1 ISBN-13: 978-3-527-31605-2
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