Paper Title:
A New Aspect in Computational Nanomaterial Science: Odd Electrons in Molecular Chemistry, Surface Science, and Solid State Magnetism
  Abstract

A unified theoretical and/or computational odd-electrons approach is suggested for molecules, surfaces and magnetic solids making possible their consideration on the same conceptual basis as well as on the same computational footing. The current paper presents the approach application to the chemistry of fullerenes, carboneous nanotubes, surface science of silicon crystal, as well as to the molecular magnetism of both solid polymerized fullerenes and molecular crystals composed of transitional metal complexes.

  Info
Periodical
Edited by
Dragan P. Uskoković, Slobodan K. Milonjić and Dejan I. Raković
Pages
19-27
DOI
10.4028/www.scientific.net/MSF.555.19
Citation
E.F. Sheka, "A New Aspect in Computational Nanomaterial Science: Odd Electrons in Molecular Chemistry, Surface Science, and Solid State Magnetism", Materials Science Forum, Vol. 555, pp. 19-27, 2007
Online since
September 2007
Authors
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Hong Fu Guo, Mi Fu, Jin Feng Tang, Cai Xiang Xu
Chapter 6: Mechatronics
Abstract:An ultra high frequency (UHF) sensor antenna with metallic shell for PD detection has been proposed and experimentally studied in this...
765
Authors: Teodor Breczko, Viatcheslav Barkaline, Yana Douhaya
Chapter 8: Magnetic Shape Memory Alloys
Abstract:The results of the computer simulations of certain electronic properties of the austenite phase of Ni-Mn-Ga alloy are presents. Cluster...
426
Authors: Chang Feng Yu
Chapter 1: Materials and Technologies in the Scale of Micro and Nano
Abstract:A new analytical potential energy functions is presented, the potential energy function is examined by 13 examples of different diatomic...
313