Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer

Structural Chemistry

Volumn 21, Issue 3, 2010, Pages 643-649

  Chermahini, Alireza Najafi ^a   Moaddeli, Ali ^a   Teimouri, Abbas ^b  

^a YASOUJ UNIVERSITY   (Iran)

^b PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

Conformational analysis; Density functional theory (DFT); Difluoroacetic acid; Hartree Fock (HF); Hydrogen bonding; Natural bond orbital (NBO)

Indexed keywords

EID: 77952292285     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-010-9595-9     Document Type: Article

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