Explaining the effects of T-O-T bond angles on NMR chemical shifts in aluminosilicates: A Natural Bonding Orbital (NBO) and Natural Chemical Shielding (NCS) analysis

Journal of Physical Chemistry A

Volumn 109, Issue 13, 2005, Pages 3060-3066

  Liu, Yun ^a   Nekvasil, Hanna ^b   Tossell, John ^a  

^a Bldg 142   (United States)

^b STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINOSILICATES; BOND ANGLE; NATURAL BONDING ORBITAL (NBO); NATURAL CHEMICAL SHIELDING (NCS);

CHEMICAL BONDS; CORRELATION METHODS; ELECTRONIC STRUCTURE; GLASS; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE; QUANTUM THEORY;

SILICATES;

ALUMINOSILICIC ACID; ALUMINUM; ALUMINUM SILICATE; OXYGEN; SILICON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

ALUMINUM; ALUMINUM SILICATES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXYGEN; SILICON;

EID: 17044367011     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046103b     Document Type: Article

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