引用本文:
Xiao Min SUN, Da Cheng FENG, Zheng Ting CAI. Theoretical Study on the Long-lived Complexes for the Na+I2 Collision System[J]. Chinese Chemical Letters,
2004, 15(6): 749-752.
Citation: Xiao Min SUN, Da Cheng FENG, Zheng Ting CAI. Theoretical Study on the Long-lived Complexes for the Na+I2 Collision System[J]. Chinese Chemical Letters, 2004, 15(6): 749-752.
Citation: Xiao Min SUN, Da Cheng FENG, Zheng Ting CAI. Theoretical Study on the Long-lived Complexes for the Na+I2 Collision System[J]. Chinese Chemical Letters, 2004, 15(6): 749-752.
Theoretical Study on the Long-lived Complexes for the Na+I2 Collision System
摘要:
For the Na+I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.
English
Theoretical Study on the Long-lived Complexes for the Na+I2 Collision System
Abstract:
For the Na+I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.
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