Title of article :
(HX)2 species (X=F through At) in the groups of the periodic system:: MP2 and CCSD(T) ab initio quantum chemical calculations
Author/Authors :
Burda، نويسنده , , Jaroslav V and Hobza، نويسنده , , Pavel and Zahradn??k، نويسنده , , Rudolf، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Pages :
5
From page :
20
To page :
24
Abstract :
(XH)2 species (X=F through At) were studied ab initio using the CCSD(T) and MP2 procedures. All-electron calculations were performed for X=F, Cl and Br while average relativistic effective potentials were used consistently for all the halogens. All (HX)2 structures are H-bonded; the HX…XH structures are less stable.
Journal title :
Chemical Physics Letters
Serial Year :
1998
Journal title :
Chemical Physics Letters
Record number :
1773323
Link To Document :
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