A density functional study of EPR hyperfine coupling of vanadocene(IV) complexes

Chemical Physics

Volumn 305, Issue 1-3, 2004, Pages 291-298

  Honzíĉek, Jan ^a   Vinklárek, Jaromír ^a   Nachtigall, Petr ^a,b  

^a UNIVERSITY OF PARDUBICE   (Czech Republic)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

DFT calculations; EPR spectroscopy; HFC tensor; Metallocene; Vanadium

Indexed keywords

VANADIC ACID;

ACCELERATION; ANALYTICAL ERROR; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; EXPERIMENT; GEOMETRY; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 4644229579     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.07.005     Document Type: Article

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