A theoretical study on SCN- + {radical dot}XH reactions (X = O, S): Hemi bonded vs. H-bonded intermediate

Journal of Molecular Structure: THEOCHEM

Volumn 851, Issue 1-3, 2008, Pages 158-166

  Pathak, A K ^a   Mukherjee, T ^a   Maity, D K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Ab initio; Hemi bond; IR spectra; Optical absorption maximum; Stretching frequency; Two center three electron bond; Vibrational frequency

Indexed keywords

EID: 38749136610     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.11.013     Document Type: Article

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