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Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular

Abstract

Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)
Authors:
Fernandez G, M E; Perez A, M; Gutierrez W, C E [1] 
  1. ININ, 52750 La Marquesa, Estado de Mexico (Mexico)
Publication Date:
Jul 01, 2007
Product Type:
Conference
Report Number:
INIS-MX-2477
Resource Relation:
Conference: 17. ININ-SUTIN Technical and Scientific Congress, Salazar, Estado de Mexico (Mexico), 4-6 Dec 2007
Subject:
36 MATERIALS SCIENCE; C CODES; COMPUTER CODES; COMPUTERIZED SIMULATION; DIAGRAMS; GOLD; LENNARD-JONES POTENTIAL; MOLECULAR CLUSTERS; NANOSTRUCTURES; PALLADIUM; SCANNING ELECTRON MICROSCOPY; SILVER; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION
OSTI ID:
20991730
Research Organizations:
Instituto Nacional de Investigaciones Nucleares. Sindicato Unico de Trabajadores de la Industria Nuclear (Mexico)
Country of Origin:
Mexico
Language:
Spanish
Other Identifying Numbers:
TRN: MX0800035015132
Availability:
Available from INIS in electronic form
Submitting Site:
MXN
Size:
5 pages
Announcement Date:
Mar 26, 2008

Citation Formats

Fernandez G, M E, Perez A, M, and Gutierrez W, C E. Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular. Mexico: N. p., 2007. Web.
Fernandez G, M E, Perez A, M, & Gutierrez W, C E. Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular. Mexico.
Fernandez G, M E, Perez A, M, and Gutierrez W, C E. 2007. "Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular." Mexico.
@misc{etde_20991730,
title = {Applications of Cerius2, software of molecular simulation; Aplicaciones de Cerius2, software de simulacion molecular}
author = {Fernandez G, M E, Perez A, M, and Gutierrez W, C E}
abstractNote = {Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)}
place = {Mexico}
year = {2007}
month = {Jul}
}