|  | | | A B C D E F G I L M P Q R S T U V
(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
Vaz Junior, Miguel / de Souza Neto, Eduardo A. / Munoz-Rojas, Pablo A. (eds.)
Advanced Computational Materials Modeling
From Classical to Multi-Scale Techniques
ISBN-10: 3-527-32479-8
ISBN-13: 978-3-527-32479-8
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
TOP
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
TOP
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, José 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
Kubinyi, Hugo / Müller, Gerhard (eds.)
Chemogenomics in Drug Discovery
A Medicinal Chemistry Perspective
ISBN-10: 3-527-30987-X
ISBN-13: 978-3-527-30987-0
Gasteiger, Johann / Engel, Thomas (eds.)
Chemoinformatics
A Textbook
ISBN-10: 3-527-30681-1
ISBN-13: 978-3-527-30681-7
Oprea, Tudor I. (ed.)
Chemoinformatics in Drug Discovery
ISBN-10: 3-527-30753-2
ISBN-13: 978-3-527-30753-1
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
Berova, Nina / Woody, Robert W. / Polavarapu, Prasad / Nakanishi, Koji
Comprehensive Chiroptical Spectroscopy
2 Volume Set
ISBN-10: 0-470-64135-5
ISBN-13: 978-0-470-64135-4
Guha, Rajarshi / Bender, Andreas (eds.)
Computational Approaches in Cheminformatics and Bioinformatics
ISBN-10: 0-470-38441-7
ISBN-13: 978-0-470-38441-1
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
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
Reimers, Jeffrey R.
Computational Methods for Large Systems
Electronic Structure Approaches for Biotechnology and Nanotechnology
ISBN-10: 0-470-48788-7
ISBN-13: 978-0-470-48788-4
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
Grunenberg, Jörg (ed.)
Computational Spectroscopy
Methods, Experiments and Applications
ISBN-10: 3-527-32649-9
ISBN-13: 978-3-527-32649-5
Barone, Vincenzo (ed.)
Computational Strategies for Spectroscopy
from Small Molecules to Nano Systems
ISBN-10: 0-470-47017-8
ISBN-13: 978-0-470-47017-6
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
TOP
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
Weinhold, Frank
Discovering Chemistry With Natural Bond Orbitals
ISBN-10: 1-118-11996-7
ISBN-13: 978-1-118-11996-9
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
TOP
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
TOP
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
TOP
Lackey, Karen
Gene Family Targeted Molecular Design
ISBN-10: 0-470-41289-5
ISBN-13: 978-0-470-41289-3
TOP
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
TOP
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
TOP
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
Ancheyta, Jorge
Modeling and Simulation of Catalytic Reactors for Petroleum Refining
ISBN-10: 0-470-18530-9
ISBN-13: 978-0-470-18530-8
Deutschmann, Olaf (ed.)
Modeling and Simulation of Heterogeneous Catalytic Reactions
From the Molecular Process to the Technical System
ISBN-10: 3-527-32120-9
ISBN-13: 978-3-527-32120-9
Comba, Peter (ed.)
Modeling of Molecular Properties
ISBN-10: 3-527-33021-6
ISBN-13: 978-3-527-33021-8
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
Todeschini, Roberto / Consonni, Viviana
Molecular Descriptors for Chemoinformatics
Volume I: Alphabetical Listing / Volume II: Appendices, References
ISBN-10: 3-527-31852-6
ISBN-13: 978-3-527-31852-0
Schneider, Gisbert / Baringhaus, Karl-Heinz
Molecular Design
Concepts and Applications
ISBN-10: 3-527-31432-6
ISBN-13: 978-3-527-31432-4
Mannhold, Raimund (ed.)
Molecular Drug Properties
Measurement and Prediction
ISBN-10: 3-527-31755-4
ISBN-13: 978-3-527-31755-4
Cruciani, Gabriele (ed.)
Molecular Interaction Fields
Applications in Drug Discovery and ADME Prediction
ISBN-10: 3-527-31087-8
ISBN-13: 978-3-527-31087-6
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
Fleming, Ian
Molekülorbitale und Reaktionen organischer Verbindungen
ISBN-10: 3-527-33069-0
ISBN-13: 978-3-527-33069-0
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
TOP
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, Rémy 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
Peters, Jens-Uwe
Polypharmacology in Drug Discovery
ISBN-10: 0-470-59090-4
ISBN-13: 978-0-470-59090-4
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
TOP
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
TOP
DaCosta, Herbert / Fan, Maohong (eds.)
Rate Constant Calculation for Thermal Reactions
Methods and Applications
ISBN-10: 0-470-58230-8
ISBN-13: 978-0-470-58230-5
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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny 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, Kenny B.
Reviews in Computational Chemistry
Volume 27
ISBN-10: 0-470-58714-8
ISBN-13: 978-0-470-58714-0
Lipkowitz, Kenny 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, Kenny 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, Kenny 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, Kenny B. / Boyd, Donald B. (eds.)
Reviews in Computational Chemistry
Volume 14
ISBN-10: 0-471-35495-3
ISBN-13: 978-0-471-35495-6
TOP
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
TOP
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 / 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
TOP
Ullmann's Modeling and Simulation
ISBN-10: 3-527-31605-1
ISBN-13: 978-3-527-31605-2
TOP
Sotriffer, Christoph (ed.)
Virtual Screening
Principles, Challenges, and Practical Guidelines
ISBN-10: 3-527-32636-7
ISBN-13: 978-3-527-32636-5
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