Metallic Systems: A Quantum Chemist's Perspective
Editat de Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalezen Limba Engleză Paperback – 22 mai 2017
Metallic Systems presents brief overviews of most of the popular approaches to quantum chemical treatments and computations of chemical systems that include metals. Attention is given to the potentialities and limitations of first principles Density Functional Theory and dynamics methods (e.g. QM/MM approaches). The book emphasizes the importance of using methods that take into account crucial physical features such as explicit solvation, temperature and dynamics of metal-containing systems. It emphasizes first principles calculations in providing reliable and detailed information concerning electronic structures, mechanisms, and reaction energetics.
Accessible to newcomers to the field, Metallic Systems overviews theory underpinning current methodologies. It presents a practical set of modalities for studying metallic systems, assesses current technological barriers, and examines future challenges and topics of exploration.
Toate formatele și edițiile | Preț | Express |
---|---|---|
Paperback (1) | 568.28 lei 6-8 săpt. | |
CRC Press – 22 mai 2017 | 568.28 lei 6-8 săpt. | |
Hardback (1) | 1392.69 lei 6-8 săpt. | |
CRC Press – 9 mai 2011 | 1392.69 lei 6-8 săpt. |
Preț: 568.28 lei
Preț vechi: 668.57 lei
-15% Nou
Puncte Express: 852
Preț estimativ în valută:
108.75€ • 112.85$ • 90.90£
108.75€ • 112.85$ • 90.90£
Carte tipărită la comandă
Livrare economică 15-29 martie
Preluare comenzi: 021 569.72.76
Specificații
ISBN-13: 9781138112094
ISBN-10: 1138112097
Pagini: 432
Ilustrații: 172
Dimensiuni: 156 x 234 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
ISBN-10: 1138112097
Pagini: 432
Ilustrații: 172
Dimensiuni: 156 x 234 mm
Greutate: 0.45 kg
Ediția:1
Editura: CRC Press
Colecția CRC Press
Public țintă
ProfessionalCuprins
Introduction. Theoretical Background. Metal-Organics. Metal Clusters. Surfaces. Future Directions.
Notă biografică
Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez
Descriere
Metal atoms produce a rich chemistry with unique properties and are of considerable interest in academic, government, commercial, and regulatory sectors. Although there is considerable literature documenting the use of quantum chemistry calculations in the study of metallic systems, there are few books that collect and present this information in a comprehensive format. This volume focuses on state-of-the-art quantum chemical methodologies, emphasizing application to a wide variety of chemical systems containing metal atoms. The book explains the theory underpinning the methodologies, presents a practical set of modalities for studying metallic systems, assesses the current technological barriers, and examines future challenges and possibilities.