Computational Chemistry & Molecular Modeling

100 publications in Computational Chemistry & Molecular Modeling

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  1. Advanced Computational Materials Modeling: From Classical to Multi-Scale TechniquesBook
  2. Atomic Charges, Bond Properties, and Molecular EnergiesBook
  3. Atomic Structure Prediction of Nanostructures, Clusters and SurfacesBook
  4. Bioinformatics - From Genomes to DrugsBook
  5. Bioisosteres in Medicinal ChemistryBook
  6. Biopharmaceutics Modeling and Simulations: Theory, Practice, Methods, and ApplicationsBook
  7. Calculation of NMR and EPR Parameters: Theory and ApplicationsBook
  8. Chemical Engineering: Modelling, Simulation and SimilitudeBook
  9. Chemically Reacting Flow: Theory and PracticeBook
  10. A Chemist's Guide to Valence Bond TheoryBook
  11. A Chemist's Guide to Density Functional Theory, Second EditionBook
  12. Chemoinformatics: A TextbookBook
  13. Chemometrics: From Basics to Wavelet Transform, Volume 164Book
  14. Comprehensive Chiroptical Spectroscopy: Instrumentation, Methodologies, and Theoretical Simulations, Volume 1Book
  15. Computational Approaches in Cheminformatics and BioinformaticsBook
  16. Computational Approaches to Energy MaterialsBook
  17. Computational Chemistry: A Practical Guide for Applying Techniques to Real World ProblemsBook
  18. Computational Chemistry of Solid State Materials: A Guide for Materials Scientists, Chemists, Physicists and othersBook
  19. Computational Chemistry Using the PC, Third EditionBook
  20. Computational Drug Design: A Guide for Computational and Medicinal ChemistsBook
  21. Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and NanotechnologyBook
  22. Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient CatalystsBook
  23. Computational Organic ChemistryBook
  24. Computational Spectroscopy: Methods, Experiments and ApplicationsBook
  25. Computational Strategies for Spectroscopy: From Small Molecules to Nano SystemsBook
  26. Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental ChemicalsBook
  27. Computer Applications in Pharmaceutical Research and DevelopmentBook
  28. Computer-Aided Modeling of Reactive SystemsBook
  29. Continuum Solvation Models in Chemical Physics: From Theory to ApplicationsBook
  30. Density Functional Theory: A Practical IntroductionBook
  31. Developing Chemical Information Systems: An Object-Oriented Approach Using Enterprise JavaBook
  32. Developments in Strategic Materials and Computational Design II: Ceramic Engineering and Science Proceedings, Volume 32Book
  33. Discovering Chemistry with Natural Bond OrbitalsBook
  34. Dynamic Combinatorial Chemistry: In Drug Discovery, Bioorganic Chemistry, and Materials ScienceBook
  35. Encyclopedia of Computational ChemistryBook
  36. Fragment-based Approaches in Drug DiscoveryBook
  37. Gene Family Targeted Molecular DesignBook
  38. Handbook of Chemoinformatics: From Data to Knowledge in 4 VolumesBook
  39. Integral Materials Modeling: Towards Physics-Based Through-Process ModelsBook
  40. Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with ScienceBook

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  28. 0-9

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