![](images/graphics/blank.gif)
A theoretical study on interaction and stability of complexes between dimethyl sulfide and carbon dioxide
11
lượt xem 1
download
lượt xem 1
download
![](https://tailieu.vn/static/b2013az/templates/version1/default/images/down16x21.png)
Interactions of dimethyl sulfide with CO2 are investigated using MP2 method with the 6-311++G(2d,2p) basis set. Nine stable geometries are observed, in which DMS∙∙∙2CO2 is found to be more stable than DMS∙∙∙1CO2 . Interaction energies for all the compexes with ZPE and BSSE corrections at MP2/ aug-cc-pVTZ//MP2/6-311++G(2d,2p) range from -2.7 to -22.0 kJ.mol-1.
Chủ đề:
Bình luận(0) Đăng nhập để gửi bình luận!
![](images/graphics/blank.gif)
CÓ THỂ BẠN MUỐN DOWNLOAD