Title: Quantum chemical study of the hydrogen-bonded C4H2 center dot center dot center dot HCl complex
Authors: Chandra, AK ×
Nguyen, Minh Tho #
Issue Date: 1997
Series Title: Journal of Chemical Research. Synopses issue:6 pages:216-217
Abstract: Ab initio molecular orbital calculations at the MP2 full level and density functional calculations using 6-31++G(d,p) basis functions are performed on the C4H2 ... HCl system and it is observed that formation of a weak complex is possible with a pi ... HCl type hydrogen bond between the C4H2 and HCl molecules.
ISSN: 0308-2342
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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