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author:

杨迎春 (杨迎春.) [1] | 陈文凯 (陈文凯.) [2] | 叶芝祥 (叶芝祥.) [3] | 杨怀金 (杨怀金.) [4]

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PKU CSCD

Abstract:

B3LYP calculations of density functional theory (DFT)with 6-311+G(3df,2p)basis set level are used to investigate the equilibrium structures and intramolecular rearrangement reactions of the linear BrSSH and branched S=SBrH isomers.The calculated results shows that the linear structure is more stable...

Keyword:

S2BrH异构体 动力学性质 密度泛函理论 热力学性质 过渡态理论

Community:

  • [ 1 ] 成都信息工程学院地球与环境科学系
  • [ 2 ] 福州大学化学系
  • [ 3 ] 成都信息工程学院地球与环境科学系 四川成都 610041
  • [ 4 ] 福建福州 350002
  • [ 5 ] 四川成都 610041

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Source :

化学研究与应用

Year: 2004

Issue: 05

Page: 650-652

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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