Reviews in Computational Chemistry, Volume 29 (eBook)

Abby L. Parrill, Kenny B. Lipkowitz (Herausgeber)

eBook Download: PDF

2016 | 1. Auflage
480 Seiten
John Wiley & Sons (Verlag)
978-1-119-15756-4 (ISBN)

Infos

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include:

* Noncovalent Interactions in Density-Functional Theory

* Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory

* Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist

* Machine Learning in Materials Science: Recent Progress and Emerging Applications

* Discovering New Materials via a priori Crystal Structure Prediction

* Introduction to Maximally Localized Wannier Functions

* Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Autor

Abby L. Parrill, PhD, is Professor of Chemistry in the Department of Chemistry at the University of Memphis, TN. Her research interests are in bioorganic chemistry, protein modeling and NMR Spectroscopy and rational ligand design and synthesis. In 2011, she was awarded the Distinguished Research Award by University of Memphis Alumni Association. She has given more than 100 presentations, more than 100 papers and books. Kenny B. Lipkowitz, PhD, is a recently retired Professor of Chemistry from North Dakota State University.

Produkt-Details

• Erscheint lt. Verlag: 9.3.2016
• Reihe/Serie: Reviews in Computational Chemistry
• Sprache: englisch
• Themenwelt: Mathematik / Informatik ► Informatik ► Theorie / Studium
• Themenwelt: Medizin / Pharmazie ► Studium ► 1. Studienabschnitt (Vorklinik)
• Themenwelt: Naturwissenschaften ► Biologie ► Biochemie
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Chemie ► Technische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Quantenphysik
• Themenwelt: Technik ► Maschinenbau
• Themenwelt: Technik ► Umwelttechnik / Biotechnologie
• Schlagworte: chemical engineering • Chemie • Chemische Verfahrenstechnik • Chemistry • Computational Chemistry • Computational Chemistry & Molecular Modeling • Computational Chemistry u. Molecular Modeling • Materials Science • Materialwissenschaften
• ISBN-10: 1-119-15756-0 / 1119157560
• ISBN-13: 978-1-119-15756-4 / 9781119157564