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Densidade de carga eletrônica em compostos orgânicos

Densidade de carga eletrônica em compostos orgânicos

Abdelakader Chouaih / Fodil Hamzaoui

29,16 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química física
ISBN:
9786209393914
29,16 €
IVA incluido
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Sobre IBD

Neste trabalho, apresentamos um resumo dos resultados obtidos nas últimas décadas relativos à análise da distribuição da densidade de carga numa variedade de compostos orgânicos industriais utilizados em diferentes áreas, tais como telecomunicações, energia solar ou biologia. Sabe-se que algumas propriedades físicas, tais como a resposta ótica não linear e a atividade biológica dos compostos estudados, estão diretamente ligadas à sua estrutura molecular eletrónica. O conhecimento da função de densidade eletrónica derivada de estudos de alta difração de raios X, combinado com cálculos teóricos ab initio, pode levar à descrição correta das propriedades eletrostáticas moleculares, tais como o momento dipolar e o potencial eletrostático em torno das moléculas. Neste livro, são apresentadas em detalhes as investigações cristalográficas e os resultados são discutidos sistematicamente.

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