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Author:

Li, QS (Li, QS.) | Hu, XG (Hu, XG.) | Cai, YM (Cai, YM.)

Indexed by:

SCIE PKU CSCD

Abstract:

The geometrical structure of the doubly negative charged close boron hydride B15H152-(D-3h) was optimized at the HF/6-31G level, and its energy properties and normal-mode vibrational frequencies were computed at the same level by using ab initio quantum chemistry calculation method, The calculated results show that the structure would pe indeed a stationary point on its HF/6-31G potential hypersurface and the cluster could be predicted to be both chemically and kinetically stable.

Keyword:

boron hydride Ab initio calculation atomic cluster

Author Community:

  • [ 1 ] JILIN UNIV,NATL KEY LAB THEORET & COMPUTAT CHEM,CHANGCHUN 130023,PEOPLES R CHINA
  • [ 2 ] XIAN PETR INST,DEPT CHEM ENGN,XIAN 710061,PEOPLES R CHINA

Reprint Author's Address:

  • [Li, QS]BEIJING UNIV TECHNOL,SCH CHEM ENGN & MAT SCI,BEIJING 100081,PEOPLES R CHINA

Email:

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Source :

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE

ISSN: 0251-0790

Year: 1997

Issue: 8

Volume: 18

Page: 1343-1345

1 . 0 0 0

JCR@2022

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

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: 1

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