On the directionality and non-linearity of halogen and hydrogen bonds
نویسندگان
چکیده
منابع مشابه
On the directionality and non-linearity of halogen and hydrogen bonds.
Benchmark quality structures and interaction energies have been produced using explicitly correlated coupled cluster methods for a systematic series of hydrogen and halogen bonded complexes: B···HCCH, B···HCl and B···ClF, with six different Lewis bases B. Excellent agreement with experimental structures is observed, verifying the method used to deduce the equilibrium deviation from collinearity...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2015
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c4cp03376k