Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: Bridging complexes with NH3, (NH 3)2, H2O, (H2O)2, FH, and (FH)2

Journal of Physical Chemistry A

Volumn 112, Issue 28, 2008, Pages 6338-6343

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

^a YOUNGSTOWN STATE UNIVERSITY   (United States)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; FORM AMIDES; SPIN-SPIN COUPLING CONSTANTS;

AMIDES; CHLORINE COMPOUNDS; HYDROGEN; HYDROGEN BONDS; NONMETALS; SPIN DYNAMICS;

COMPLEXATION;

AMIDE; AMMONIA; FORMAMIDE; FORMAMIDE DERIVATIVE; HYDROFLUORIC ACID; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

AMIDES; AMMONIA; FORMAMIDES; HYDROFLUORIC ACID; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; WATER;

EID: 50249087979     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801519v     Document Type: Article

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