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Wiley电子期刊(2)
SpringerLink电子期刊(12)
Elsevier电子期刊(21)
ACS电子期刊(13)
在“
Elsevier电子期刊
”中,
命中:
21
条,耗时:小于0.01 秒
在所有数据库中总计命中:
48
条
1.
Construction of Pn
10
M sandwich compounds from Pn
5
−
and Pn
5
M (Pn = N-Bi; M = Li, Na, K, Be, Mg, Ca, Fe, Co and Ni): A theoretical assessment
作者:
Mei Zhang
;
Weihua Wang
;
Zheng Sun
;
Lingpeng
Meng
;
Xiaoyan Li
;
lixiaoyan@mail.hebtu.edu.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
Sandwich compounds
;
Topological analysis of electron density
;
σ-π separation
;
Aromaticity
刊名:Computational and Theoretical Chemistry
出版年:2016
2.
First-principles study of hydrogen vacancies in lithium amide doped with titanium and niobium
作者:
Liping Cheng
;
Baoen Xu
;
Xuejing Gong
;
Xiaoyan Li
;
Yanli Zeng
;
Lingpeng
Meng
关键词:
Lithium amide
;
Hydrogen storage
;
Vacancy
;
Substitution
;
Diffusion path
;
First-principles calculations
刊名:International Journal of Hydrogen Energy
出版年:2013
3.
First-principles studies of the structures and properties of Al- and Ag-substituted Mg
2
Ni alloys and their hydrides
作者:
Yanli Zeng
;
Ke Fan
;
Xiaoyan Li
;
Baoen Xu
;
Xiaozhen Gao
;
Lingpeng
Meng
关键词:
Hydrogen storage
;
Mg
2
Ni
;
Substitution
;
Density functional theory
刊名:International Journal of Hydrogen Energy
出版年:2010
4.
Comparison in the complexes of oxygen-containing σ-electron donor with hydrogen halide and dihalogen molecules
作者:
Xueying Zhang
;
Yanli Zeng
;
Xiaoyan Li
;
Lingpeng
Meng
;
Shijun Zheng
关键词:
Hydrogen bond
;
Halogen bond
;
Oxygen-containing σ
;
-electron donors
;
Quantum theory of atoms in molecules
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2010
5.
AIM studies on SSHX → HSSX (X = F, Cl, Br, I) reaction
作者:
Yanli Zeng
;
Xiaoyan Li
;
Xueying Zhang
;
Shijun Zheng
;
Lingpeng
Meng
关键词:
Topological analysis of electron density
;
Reaction pathway
;
Structure transition region (STR)
;
Structure transition state (STS)
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
6.
A systematic computational study on the reactions of dimethyl sulfoxide with XO (X = NO
2
, Cl, Br and I)
作者:
Xiaoyan Li
;
Yanli Zeng
;
Lingpeng
Meng
;
Shijun Zheng
关键词:
SO
;
NO
3
;
XO radical
;
Reaction mechanism
;
Topological analysis of electronic density
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
7.
Computational study on the reactions of XO (X = F, Cl and Br) with CH
3
SO and CH
3
SO
2
作者:
Xiaoyan Li
;
Lingpeng
Meng
;
Zheng Sun
;
Shijun Zheng
关键词:
Reaction mechanism
;
Topological analysis of electronic density
;
The structure transition region
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
8.
Theoretical studies on SO
x
(x = 1–3) formation in the reaction of CH
3
SO radical with O
3
作者:
Xiaoyan Li
;
Lingpeng
Meng
;
Shijun Zheng
关键词:
CH
3
SO radical
;
CH
3
SO
2
radical
;
Topological analysis of electronic density
;
Structure transition region
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2007
9.
Photoelectron spectra and electronic structures of some chlorosulfonyl pseudohalides
作者:
Liu Fengyi
;
Zeng Xiaoqing
;
Wang Weigang
;
Meng
Lingpeng
;
Zheng Shijun
;
Ge Maofa and Wang Dianxun
关键词:
Photoelectron spectra
;
Lone-pair
;
Ionization energy
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2006
10.
Theoretical studies on the reactions of NO
2
with CH
3
SO, CH
3
SS, CH
3
SO
2
and CH
3
S(S)O
作者:
Xiaoyan Li
;
Lingpeng
Meng
and Shijun Zheng
关键词:
CH
3
S
x
O
y
radical
;
NO
2
;
Reaction mechanism
;
Topological analysis of electronic density
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2006
1
2
3
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