Systematic ab initio study of 15N- 15N and 15N- 1H spin-spin coupling constants across N-H +-N hydrogen bonds: Predicting N-N and N-H coupling constants and relating them to hydrogen bond type

Journal of Physical Chemistry A

Volumn 110, Issue 23, 2006, Pages 7496-7502

  Del Bene, Janet E ^a   Elguero, José ^b  

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

HYBRIDIZATION; PROTON ACCEPTORS; PROTON AFFINITIES; SPIN COUPLING CONSTANTS;

CHARGE COUPLED DEVICES; CHEMICAL BONDS; COMPLEXATION; COUPLINGS; PHYSICAL CHEMISTRY; PROTONS;

HYDROGEN BONDS;

HYDROGEN; NITROGEN; ORGANIC COMPOUND; PROTON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE; QUANTUM THEORY;

HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; NITROGEN; NITROGEN ISOTOPES; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; ORGANIC CHEMICALS; PROTONS; QUANTUM THEORY;

EID: 33745684970     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0613642     Document Type: Article

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