Premium
Ab ‐ Initio study of Helium‐small carbon cage systems
Author(s) -
Cheng Cheng,
Sheng Li
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24303
Subject(s) - noble gas , helium , ab initio , atomic physics , atom (system on chip) , helium atom , chemistry , ab initio quantum chemistry methods , carbon fibers , carbon atom , open shell , materials science , physics , molecule , composite number , ring (chemistry) , organic chemistry , computer science , composite material , embedded system
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@C 8 H 8 and He@C10H16 and showed the possibility of opening the electron shell of a light noble‐gas atom. © 2012 Wiley Periodicals, Inc.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom