Determining the geometry of hydrogen bonds in solids with picometer accuracy by quantum-chemical calculations and NMR spectroscopy

ChemPhysChem

Volumn 6, Issue 2, 2005, Pages 315-327

  Schulz Dobrick, Martin ^a   Metzroth, Thorsten ^b   Spiess, Hans Wolfgang ^a   Gauss, Jürgen ^b   Schnell, Ingo ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

Density functional calculations; Fast magic angle spinning; Hydrogen bonds; NMR spectroscopy; Supramolecular chemistry

Indexed keywords

DENSITY FUNCTIONAL THEORY; LIGHT POLARIZATION; MAGIC ANGLE SPINNING; NITROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; SUPRAMOLECULAR CHEMISTRY;

DIPOLE-DIPOLE COUPLINGS; HYDROGEN BONDED SYSTEMS; PROTON-PROTON DISTANCES; QUANTUM CHEMICAL APPROACH; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL METHODS; SCATTERING TECHNIQUES; STRUCTURE DETERMINATION;

HYDROGEN BONDS;

NITROGEN; PROTON; OXYGEN;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIAGNOSTIC ACCURACY; DIPOLE; FAST MAGIC ANGLE SPINNING; GEOMETRY; HYDROGEN BOND; NITROGEN NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OSCILLATION; PICOMETER; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; RELIABILITY; SOLID; SOLID STATE NUCLEAR MAGNETIC RESONANCE; STRUCTURE ANALYSIS; SUPRAMOLECULAR CHEMISTRY; VIBRATION; CHEMICAL MODEL; CHEMISTRY; DIMERIZATION; METHODOLOGY; PHYSICAL CHEMISTRY; RADIATION SCATTERING; REPRODUCIBILITY; STATISTICAL MODEL; THEORETICAL MODEL; X RAY CRYSTALLOGRAPHY;

CHEMISTRY, PHYSICAL; CRYSTALLOGRAPHY, X-RAY; DIMERIZATION; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MODELS, THEORETICAL; NITROGEN; NITROGEN ISOTOPES; OXYGEN; PROTONS; REPRODUCIBILITY OF RESULTS; SCATTERING, RADIATION;

EID: 15044346716     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400338     Document Type: Article

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