Matrix Infrared Spectroscopy and Density Functional Theory Calculations of Novel Transition Metal-containing Molecules PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Matrix Infrared Spectroscopy and Density Functional Theory Calculations of Novel Transition Metal-containing Molecules PDF full book. Access full book title Matrix Infrared Spectroscopy and Density Functional Theory Calculations of Novel Transition Metal-containing Molecules by Binyong Liang. Download full books in PDF and EPUB format.
Author: Binyong Liang
Publisher:
ISBN:
Category :
Languages : en
Pages : 536
Get Book Here
Book Description
Author: Binyong Liang
Publisher:
ISBN:
Category :
Languages : en
Pages : 536
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 902
Get Book Here
Book Description
Author: David S. Sholl
Publisher: John Wiley & Sons
ISBN: 1118211049
Category : Science
Languages : en
Pages : 252
Get Book Here
Book Description
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Author:
Publisher:
ISBN:
Category : Dissertation abstracts
Languages : en
Pages : 776
Get Book Here
Book Description
Author: Jaan Laane
Publisher: Elsevier
ISBN: 0128112212
Category : Science
Languages : en
Pages : 788
Get Book Here
Book Description
Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. Much of what we know about atoms, molecules and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. Going far beyond the topics discussed in Jaan Laane's earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more. - Covers spectroscopic investigations on the cutting edge of science - Written and edited by leading experts in their respective fields - Allows researchers to access a broad range of essential modern spectroscopy content from a single source rather than wading through hundreds of scattered journal articles
Author: American Chemical Society
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 1042
Get Book Here
Book Description
Author: Carlos Fiolhais
Publisher: Springer Science & Business Media
ISBN: 3540030832
Category : Science
Languages : en
Pages : 290
Get Book Here
Book Description
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.
Author: V. S. Yungman
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 596
Get Book Here
Book Description
Author: Kazuo Nakamoto
Publisher: John Wiley & Sons
ISBN: 9780470405796
Category : Science
Languages : en
Pages : 350
Get Book Here
Book Description
The Sixth Edition of this classic work comprises the most comprehensive and current guide to infrared and Raman spectra of inorganic, organometallic, bioinorganic, and coordination compounds. From fundamental theories of vibrational spectroscopy to applications in a variety of compound types, this has been extensively updated. New topics include the theoretical calculations of vibrational frequencies (DFT method), chemical synthesis by matrix co-condensation reactions, time-resolved Raman spectroscopy, and more. This volume is a core reference for chemists and medical professionals working with infrared or Raman spectroscopies and an excellent textbook for graduate courses.
Author: Nihon Kagakkai
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 780
Get Book Here
Book Description
