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Ab initio and AIM theoretical analysis of hydrogen-bond radius of HD (D = F, Cl, Br, CN, HO, HS and CCH) donors and some acceptors

B. Raghavendra,a   Pankaj K. Mandala and   E. Arunan*a  
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a
Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India
E-mail: arunan@ipc.iisc.ernet.in;
Fax: +91-80-23600282
Phys. Chem. Chem. Phys., 2006,8, 5276-5286

DOI: 10.1039/B611033A
Received 01 Aug 2006, Accepted 03 Oct 2006
First published online 19 Oct 2006
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