Metallic systems a quantum chemist's perspective
by
Allison, Thomas Clayton.
Title
:
Metallic systems a quantum chemist's perspective
Author
:
Allison, Thomas Clayton.
ISBN
:
9781420060867
Publication Information
:
Boca Raton, Fla. : CRC Press, 2011.
Physical Description
:
xvii, 403 p. : ill.
Contents
:
ch 1. First principles DFT studies of metal-based biological and biomimetic systems / Arturo Robertazzi ... [et al.] -- ch. 2. Structural and thermodynamic studies of a-Synuclein proteins related to Parkinson's Disease : impact of aqueous solution and Fe3+ coordination / Olivia M. Wise, Liang Xu, and Orkid Coskuner -- ch. 3. Carbohydrate and trivalent iron ion interactions in the gas phase and in aqueous solution / Orkid Coskuner and Carlos A. Gonzl̀ez -- ch. 4. Aqueous solutions of metal ions / Orkid Coskuner and Thomas C. Allison -- ch. 5. Structure of liquid metal surfaces : a first principles perspective / Brent Walker, Nicola Marzari, and Carla Molteni -- ch. 6. Some practical considerations for density functional theory studies of chemistry at metal surfaces / Rudolph J. Magyar, Ann E. Mattsson, and Peter A. Schultz -- ch. 7. Computational investigations of metal oxide surfaces / Emily A.A. Jarvis and Cynthia S. Lo -- ch. 8. Tight binding methods for metallic systems / Luis Rincn̤, Thoomas C. Allison, and Carlos A Gonzl̀ez -- ch. 9. Density functional calculations of metal clusters : structure, dynamics, and reactivity / Dennis R. Salahub ... [et al.] -- ch. 10. Density functional theory calculations on cobalt and platinum transition metal clusters / Ali Sebetci -- ch. 11. Exploring the borderland between physics and chemistry : theoretical methods in the study of atomic clusters / Yamil Simn̤-Manso, Carlos A. Gonzl̀ez, and Patricio Fuentealba.
Subject Term
:
Quantum chemistry.
Metallurgy.
Added Author
:
Allison, Thomas Clayton.
Coskuner, Orkid.
Gonzl̀ez, Carlos A.
Electronic Access
:
Library | Material Type | Item Barcode | Shelf Number | [[missing key: search.ChildField.HOLDING]] | Status |
---|
Online Library | E-Book | 286884-1001 | ONLINE | | Elektronik Kütüphane |