The effects of intramolecular and intermolecular coordination on 31P nuclear shielding: Phosphorylated azoles

Magnetic Resonance in Chemistry

Volumn 50, Issue 2, 2012, Pages 120-127

  Chernyshev, Kirill A ^a   Larina, Ludmila I ^a   Chirkina, Elena A ^a   Krivdin, Leonid B ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

coordination effects; DFT; GIAO; PCM; pyrazoles; relativistic corrections; spin orbit interaction; ZORA

Indexed keywords

COORDINATION REACTIONS; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

COORDINATION EFFECTS; DFT; GIAO; INTERMOLECULAR COORDINATION; INTRAMOLECULAR COORDINATION; NUCLEAR SHIELDING; PYRAZOLES; RELATIVISTIC CORRECTION; SPIN-ORBIT INTERACTION; ZORA;

SOLVENTS;

EID: 84858333665     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2854     Document Type: Article

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