Title of article :
Does a cooperative mechanism explain the unusually large gas-solid structure differences found for HCN…BF3?
Author/Authors :
Iglesias، نويسنده , , E. and Sordo، نويسنده , , T.L. and Sordo، نويسنده , , J.A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1996
Abstract :
Ab initio calculations, at the MP2/6-31G∗∗ level, suggest that a cooperative mechanism seems to play an important, though not decisive, role in explaining the short B-N distance and the large out-of-plane distortion of the BF3 in the HCN…BF3 crystal.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters