Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study.

Kalaiarasi, Chinnasamy; Pavan, Mysore S; Kumaradhas, Poomani

Kalaiarasi, Chinnasamy; Pavan, Mysore S; Kumaradhas, Poomani.

Afiliação

Kalaiarasi C; Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem 636 011, India.
Pavan MS; Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India.
Kumaradhas P; Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem 636 011, India.

Acta Crystallogr B Struct Sci Cryst Eng Mater ; 72(Pt 5): 775-786, 2016 Oct 01.

Article em En | MEDLINE | ID: mdl-27698320

Palavras-chave

2-nitroimidazole; Hirshfeld surface; charge-density distribution; electrostatic potential; radiosensitizer

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Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr B Struct Sci Cryst Eng Mater Ano de publicação: 2016 Tipo de documento: Article

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PubMed Links

Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr B Struct Sci Cryst Eng Mater Ano de publicação: 2016 Tipo de documento: Article