A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water-Reference-Cited by-同舟云学术

A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water

Published:2016-05-26 Issue:22 Volume:120 Page:3878-3887
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cabral Benedito J. Costa¹,Coutinho Kaline²,Canuto Sylvio²

Affiliation:

1. Departamento de Química e Bioquímica and Grupo de Física Matemática da Universidade de Lisboa, Faculdade de Ciências da Universidade de Lisboa, Campo Grande 1749-016 Lisboa, Portugal

2. Instituto de Física da Universidade de São Paulo, 05508-090 Cidade Universitária, São Paulo, São Paulo Brazil

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Instituto Nacional de Ciência e Tecnologia de Fluidos Complexos

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01797

Reference67 articles.

1. Large π-Aromatic Molecules as Potential Sensitizers for Highly Efficient Dye-Sensitized Solar Cells

2. Nonlinear optical properties of organic solids: ab initio polarizability and hyperpolarizabilities of nitroaniline derivatives

3. The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: A quantum mechanical/molecular mechanics study

4. Assessment of long-range corrected functionals for the prediction of non-linear optical properties of organic materials

5. The effect of terminal nitro and amino groups on the electronic spectra of conjugated hydrocarbon systems

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