Topological properties of some PhSeX compounds

A theoretical study on the series of compounds "PhSeX", where Ph=phenyl, Se=selenium and X=Cl, Br, I, CN or SCN, is reported and compared with previously reported experimental data. The molecular geometry for these PhSeX compounds was studied at the DFT/B3LYP level of calculation by means...

Descripción completa

Guardado en:

Detalles Bibliográficos
Publicado:	2012
Materias:	DFT PhSeX Pseudohalogen Selenium Topological study bromine chloride iodine phenyl group selenium article chemical bond chemical structure geometry priority journal solid state theoretical study Halogens Models, Theoretical Molecular Structure Organoselenium Compounds Phenols
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16102940_v18_n3_p913_Okulik http://hdl.handle.net/20.500.12110/paper_16102940_v18_n3_p913_Okulik
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Topological properties of some PhSeX compounds
por: Okulik, N.B., et al.

Topological properties of some PhSeX compounds
por: Okulik, Nora Beatriz, et al.
Publicado: (2012)

Desarrollo metodol�ogico para la determinaci�on selenio en muestras biol�ogicas empleando la espectrometr�ia de absorci�on at�omica con atomizaci�on electrot�ermica /
Publicado: (2002)

Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
por: Bochicchio, Roberto Carlos
Publicado: (2003)

Comment on 'Characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
por: Bochicchio, R.C., et al.

La nueva farmacoterapia inorgánica : XI. Algunos comentarios sobre la bioquímica y la farmacología del selenio
por: Barán, Enrique José
Publicado: (1990)

Lichtinouzierter abbau adsorbierter chemikalien eine einfache vorrichtung fur vergleichende untersuchungen
Publicado: (1983)

Lichtinouzierter abbau adsorbierter chemikalien eine einfache vorrichtung fur vergleichende untersuchungen
por: Lotz, F., et al.

On-line submicellar enhanced fluorometric determination of Se(IV) with 2,3-diaminonaphthalene
Publicado: (2004)

On-line submicellar enhanced fluorometric determination of Se(IV) with 2,3-diaminonaphthalene
por: Pedro, J., et al.

Desarrollo de plantines hortícolas tolerantes a estrés salino postrasplante mediante suplementación con selenio
por: Muñoz, Fernando Felipe
Publicado: (2021)

Sodium Selenite Improves In Vitro Maturation of Bos primigenius taurus Oocytes
por: Lizarraga, Raúl Martín, et al.
Publicado: (2019)

An approach to the construction of chemistry curricula on the basis of structuring theoretical fields
Publicado: (2012)

An approach to the construction of chemistry curricula on the basis of structuring theoretical fields
por: Adúriz-Bravo, A., et al.

Advances in chemical physics.
Publicado: (2007)

Automation tools for web testing: beyond selenium
por: Segovia González, Rosario, et al.
Publicado: (2022)

A metallic furnace atomizer in hydride generation atomic absorption spectrometry: Determination of bismuth and selenium
por: Kim, Manuela Leticia, et al.
Publicado: (2008)

A metallic furnace atomizer in hydride generation atomic absorption spectrometry: Determination of bismuth and selenium
por: Klassen, A., et al.

Thermochemical kinetics of bromine nitrate, bromine nitrite, halogen hydroperoxides, dichlorine pentoxide, peroxycarboxylic acids, and diacyl peroxides
Publicado: (1998)

Thermochemical kinetics of bromine nitrate, bromine nitrite, halogen hydroperoxides, dichlorine pentoxide, peroxycarboxylic acids, and diacyl peroxides
por: Colussi, A.J., et al.

Canine IVM with SOF medium, insulin - transferrin - selenium, and low O2 tension improves oocyte meiotic competence and decreases reactive oxygen species levels

Evolutionary topology optimization of continuum structures methods and applications /
por: Huang, X. (Xiaodong), 1972-
Publicado: (2010)

Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
por: Cukiernik, Fabio Daniel, et al.
Publicado: (2008)

Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
por: Cukiernik, F.D., et al.
Publicado: (2008)

Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
por: Cukiernik, F.D., et al.

Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
por: Cukiernik, F.D., et al.
Publicado: (2008)

Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids
por: Ponce, María Alejandra, et al.
Publicado: (2001)

Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids
por: Ponce, M.A., et al.

Efecto del riego con aguas provenientes del tratamiento de efluentes urbanos y de la fertilización con selenio sobre la calidad nutracéutica de brócoli
por: Salusso, Fabricio Alejandro
Publicado: (2021)

Canine IVM with SOF medium, insulin - transferrin - selenium, and low O2 tension improves oocyte meiotic competence and decreases reactive oxygen species levels

2,4-Dinitrophenyl phenyl sulfone
por: Ellena, Javier Alcides
Publicado: (1996)

2,4-Dinitrophenyl phenyl sulfone
por: Ellena, J., et al.
Publicado: (1996)

2,4-Dinitrophenyl phenyl sulfone
por: Ellena, J., et al.

2,4-Dinitrophenyl phenyl sulfone
por: Ellena, J., et al.
Publicado: (1996)

Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-Trifluoro-2,4,6-Triiodobenzene
Publicado: (2017)

Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-Trifluoro-2,4,6-Triiodobenzene
por: Raffo, P.A., et al.

The structures of the elements. /
por: Donohue, Jerry, 1920-
Publicado: (1974)

The isolation of a new compound from urine of humans with porphyria cutanea tarda
por: Grinstein, Moisés, et al.
Publicado: (1977)

The isolation of a new compound from urine of humans with porphyria cutanea tarda
por: Grinstein, M., et al.

Bond orders and their relationships with cumulant and unpaired electron densities
Publicado: (2003)