A theoretical study of hydrogen complexes of the X{single bond}H-π type between propyne and HF, HCL or HCN

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 64, Issue 2, 2006, Pages 412-417

  Tavares, Alessandra M ^a   da Silva, Washington L V ^a   Lopes, Kelson C ^a   Ventura, Elizete ^a   Araújo, Regiane C M U ^a   do Monte, Silmar A ^a   da Silva, João Bosco P ^b   Ramos, Mozart N ^b  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

B3LYP; HF; Hydrogen bond; MP2; Propyne

Indexed keywords

ACETYLENE; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS;

B3LYP; MP2; PROPYNE;

HYDROGEN BONDS;

ALKYNE; HYDROCHLORIC ACID; HYDROFLUORIC ACID; HYDROGEN CYANIDE; PROPYNE;

ARTICLE; CHEMISTRY; HYDROGEN BOND; THERMODYNAMICS; VIBRATION;

ALKYNES; HYDROCHLORIC ACID; HYDROFLUORIC ACID; HYDROGEN BONDING; HYDROGEN CYANIDE; THERMODYNAMICS; VIBRATION;

EID: 33646563469     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.07.038     Document Type: Article

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