Ab initio and DFT study of 31P-NMR chemical shifts of sphingomyelin and dihydrosphingomyelin lipid molecule

International Journal of Quantum Chemistry

Volumn 109, Issue 15, 2009, Pages 3685-3693

  Sugimori, K ^a   Kawabe, H ^a   Nagao, H ^b   Nishikawa, K ^b  

^a KINJO UNIVERSITY   (Japan)

^b KANAZAWA UNIVERSITY   (Japan)

Author keywords

31P NMR; DFT; GIAO; PCM; Sphingomyelin

Indexed keywords

AMIDES; BIOLOGY; BONDING; CALCIUM; CELL DEATH; CHEMICAL SHIFT; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; LENSES; MAMMALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTICAL INSTRUMENTS; PHOSPHOLIPIDS; PROBABILITY DENSITY FUNCTION; PULSE CODE MODULATION; QUANTUM CHEMISTRY; RESONANCE; SIGNAL TRANSDUCTION;

AB INITIO AND DFT; AMIDE GROUPS; APOPTOSIS; ATOMIC ORBITAL; CONFORMATIONAL CHANGE; CONFORMATIONAL DIFFERENCES; GEOMETRY OPTIMIZATION; HUMAN LENS; HYDROGEN BONDINGS; HYDROXYL GROUPS; INTRAMOLECULAR HYDROGEN BONDING; LIPID MOLECULES; MAMMALIAN MEMBRANES; NERVOUS TISSUES; NMR CHEMICAL SHIFTS; NORMAL MODE ANALYSIS; OCULAR LENS; PHOSPHATE GROUP; PHOSPHORYLCHOLINE; SHIELDING CONSTANTS; SOLVENT EFFECTS; SPHINGOMYELIN; SPHINGOSINE; STABLE CONFORMERS;

NUCLEAR MAGNETIC RESONANCE;

EID: 84962468662     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22404     Document Type: Conference Paper

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