Torsional profiles of protonated and metal-coordinated 2,2′- bipyridine

Journal of Molecular Structure: THEOCHEM

Volumn 685, Issue 1-3, 2004, Pages 133-137

  Grummt, Ulrich Walter ^a   Erhardt, Stefan ^b  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

2,2 Bipyridine; Ab initio calculations; DFT calculation; Metal coordinated; Protonated; Rotational barriers

Indexed keywords

2,2' BIPYRIDINE DERIVATIVE; CATION; HYDROGEN; METAL COMPLEX; TRANSITION ELEMENT;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; ROTATION; STEREOSPECIFICITY; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THEORETICAL STUDY;

EID: 6944252583     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.07.006     Document Type: Article

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