Structural Properties Electronic and Vibrational Crystals Aspartic Acid (Asp): Computer Simulations in Formalism DFT

Structural Properties Electronic and Vibrational Crystals Aspartic Acid (Asp): Computer Simulations in Formalism DFT

FundaÃÃo Cearense de Apoio ao Desenvolvimento Cientifico e TecnolÃgico === Computer simulations within the Density Functional Theory (DFT) formalism were accomplished to find the structural, electronic and vibrational properties of aspartic acid (Asp) crystals in the L-anhydrous, L-monohydrated, and...

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Bibliographic Details
Main Author: Agmael MendonÃa Silva
Other Authors: Ewerton Wagner Santos Caetano
Format: Others
Language:Portuguese
Published: Universidade Federal do Cearà 2015
Subjects:
FÃsica molecular
Teoria do Funcional da Densidade (DFT)
AminoÃcidos
Ãcido aspÃrtico
Espectroscopia Raman
Molecular physics
Density Functional Theory (DFT)
Amino acids
Aspartic acid
Raman spectroscopy
FISICA DA MATERIA CONDENSADA
Online Access:http://www.teses.ufc.br/tde_busca/arquivo.php?codArquivo=14934

Internet

http://www.teses.ufc.br/tde_busca/arquivo.php?codArquivo=14934

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