Buch, Englisch, 398 Seiten, Previously published in hardcover, Format (B × H): 155 mm x 235 mm, Gewicht: 710 g
Principles and Applications
Buch, Englisch, 398 Seiten, Previously published in hardcover, Format (B × H): 155 mm x 235 mm, Gewicht: 710 g
ISBN: 978-3-642-09598-6
Verlag: Springer
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It is the first textbook to provide in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Zielgruppe
Research
Autoren/Hrsg.
Fachgebiete
- Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie
- Naturwissenschaften Chemie Chemie Allgemein Chemische Labormethoden, Stöchiometrie
- Naturwissenschaften Chemie Chemie Allgemein Toxikologie, Gefahrstoffe, Sicherheit in der Chemie
- Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
- Naturwissenschaften Chemie Chemie Allgemein Pharmazeutische Chemie, Medizinische Chemie
Weitere Infos & Material
Symmetry and Point Groups.- Quantum Mechanics: A Brief Introduction.- Hückel Molecular Orbital Theory.- Hartree-Fock Theory.- Basis Sets.- Semiempirical Methods.- The Ab Initio Method.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- The Modeling of Molecules Through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular Modeling.- Basic Mathematics for Computational Chemistry.
