Ab-Initio study of Helium-small carbon cage systems

Cheng Cheng; Li Sheng

doi:10.1002/qua.24303

Ab-Initio study of Helium-small carbon cage systems

Cheng Cheng
, Li Sheng^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Harbin Institute of Technology

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The traditional method for opening the electron shells of noble gas atoms involves a strong electronegative atom or group. However, this approach is limited to only heavy noble-gas atoms, such as Kr and Xe. In this paper, we performed accurate calculations of He@C₈H₈ and He@C10H16 and showed the possibility of opening the electron shell of a light noble-gas atom.

Original language	English
Pages (from-to)	35-38
Number of pages	4
Journal	International Journal of Quantum Chemistry
Volume	113
Issue number	1
DOIs	https://doi.org/10.1002/qua.24303
State	Published - 5 Jan 2013

Keywords

carbon cage
electron shell
endohedral complexes
helium
noble gas atom
noble gas compound

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10.1002/qua.24303

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abstract = "The traditional method for opening the electron shells of noble gas atoms involves a strong electronegative atom or group. However, this approach is limited to only heavy noble-gas atoms, such as Kr and Xe. In this paper, we performed accurate calculations of He@C8H8 and He@C10H16 and showed the possibility of opening the electron shell of a light noble-gas atom.",

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AU - Cheng, Cheng

AU - Sheng, Li

PY - 2013/1/5

Y1 - 2013/1/5

N2 - The traditional method for opening the electron shells of noble gas atoms involves a strong electronegative atom or group. However, this approach is limited to only heavy noble-gas atoms, such as Kr and Xe. In this paper, we performed accurate calculations of He@C8H8 and He@C10H16 and showed the possibility of opening the electron shell of a light noble-gas atom.

AB - The traditional method for opening the electron shells of noble gas atoms involves a strong electronegative atom or group. However, this approach is limited to only heavy noble-gas atoms, such as Kr and Xe. In this paper, we performed accurate calculations of He@C8H8 and He@C10H16 and showed the possibility of opening the electron shell of a light noble-gas atom.

KW - carbon cage

KW - electron shell

KW - endohedral complexes

KW - helium

KW - noble gas atom

KW - noble gas compound

UR - https://www.scopus.com/pages/publications/84870298301

U2 - 10.1002/qua.24303

DO - 10.1002/qua.24303

M3 - 文章

AN - SCOPUS:84870298301

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VL - 113

SP - 35

EP - 38

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 1

ER -

Ab-Initio study of Helium-small carbon cage systems

Abstract

Keywords

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