Title of article :
Prediction of the 13C NMR chemical shifts of organic species adsorbed on H-ZSM-5 zeolite by the ONIOM-GIAO method
Author/Authors :
Chen، Lei نويسنده , , Yang، Jun نويسنده , , Lu، Xin نويسنده , , Deng، Feng نويسنده , , Zheng، Anmin نويسنده , , Yue، Yong نويسنده , , Ye، Chaohui نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Abstract :
The ONIOM-GIAO method has been used to accurately predict 13C NMR chemical shifts for a series of organic species adsorbed on H-ZSM-5 zeolite. This is useful for the spectroscopic identification of complicated catalytic systems.
Keywords :
Leafy spurge flea beetles , Euphorbia esula , Spurgia esulae , Biological control , IPM , Invasive weeds , Aphthona czwalinae , Aphthona flava , Endangered species , Aphthona lacertosa , Aphthona nigriscutis
Journal title :
CHEMICAL COMMUNICATIONS - LETCHWORTH
Journal title :
CHEMICAL COMMUNICATIONS - LETCHWORTH
