How 77Se NMR chemical shifts originate from pre-α, α, β, and γ effects: Interpretation based on molecular orbital theory

Chemistry - A European Journal

Volumn 13, Issue 18, 2007, Pages 5282-5293

  Nakanishi, Waro ^a   Hayashi, Satoko ^a   Hada, Masahiko ^b  

^a WAKAYAMA UNIVERSITY   (Japan)

^b TOKYO METROPOLITAN UNIVERSITY   (Japan)

Author keywords

Ab initio calculations; Ligand effects; NMR spectroscopy; Selenium

Indexed keywords

CHEMICAL SHIFT; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITIONS; PROTONS;

AB INITIO CALCULATIONS; DOWNFIELD SHIFTS; LIGAND EFFECTS;

SELENIUM;

EID: 34250876876     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601792     Document Type: Article

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