Understanding structure-activity relation in V<sub>x</sub>O<sub>y</sub> clusters of varied stoichiometry and sizes through conceptual density functional approach.

Kaur, Navjot; Gupta, Shuchi; Goel, Neetu

Understanding structure-activity relation in V_xO_y clusters of varied stoichiometry and sizes through conceptual density functional approach.

Kaur, Navjot; Gupta, Shuchi; Goel, Neetu.

Afiliación

Kaur N; Theoretical & Computational Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India.
Gupta S; University Institute of Engineering and Technology, Panjab University, Chandigarh, 160014, India. Sgupta@pu.ac.in.
Goel N; Theoretical & Computational Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India. neetugoel@pu.ac.in.

J Mol Model ; 25(11): 319, 2019 Oct 09.

Article en En | MEDLINE | ID: mdl-31598882

Palabras clave

Density functional theory; Global reactivity descriptors; Local reactivity descriptors; VxOy clusters

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2019 Tipo del documento: Article País de afiliación: India Pais de publicación: Alemania

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