Conceptual DFT and TDDFT study on electronic structure and reactivity of pure and sulfur doped (CrO3) (n = 1–10) clusters

Author:

Garg Shivangi,Kaur Navjot,Goel Neetu

Funder

University Grants Commission (UGC), India

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference77 articles.

1. Electronic and steric effects on the oxygenation of organic sulfides and sulfoxides with oxo (salen) chromium (v) complexes;Natarajan;J. Org. Chem.,2003

2. Belgium patent 530617 (1955); us patent 2825721 (1958); 2846425 (1958); 2951816;Hogan;Ind. Eng. Chem.,1960

3. Photodissociation of chromium oxide cluster cations;Molek;J. Phys. Chem.,2007

4. A critical assessment of chromium in the environment;Eugene Kimbrough;Crit. Rev. Environ. Sci. Technol.,1999

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