Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene

Journal of Computational Chemistry

Volumn 30, Issue 4, 2009, Pages 551-564

  Cuesta, Inmaculada García ^a   De Merás, Alfredo Sánchez ^a   Pelloni, Stefano ^b   Lazzeretti, Paolo ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Current density maps; Naphthalene; Proton and carbon chemical shift; Ring currents

Indexed keywords

ANTHRACENE; CHEMICAL SHIFT; HYDROGEN; MAGNETIC FIELDS; MAGNETIC RESONANCE; NAPHTHALENE; PROTONS;

BIOT-SAVART LAWS; CURRENT DENSITY MAPS; CURRENT MODELS; DENSITY MAPS; DESHIELDING; EXTERNAL MAGNETIC FIELDS; GEOMETRICAL FACTORS; HARTREE-FOCK; LOCAL RESPONSE; MOLECULAR PLANES; OUT-OF-PLANE COMPONENTS; RING CURRENT EFFECTS; RING CURRENTS; SHIELDING TENSORS; TOTAL VALUES;

MAGNETIC SHIELDING;

EID: 61849181569     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21083     Document Type: Article

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