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Elsevier电子期刊(27)
在“
Elsevier电子期刊
”中,
命中:
27
条,耗时:小于0.01 秒
在所有数据库中总计命中:
81
条
1.
Insights on the aromaticity of imidazolylidene carbenes by means of DFT calculations
作者:
Andres S. Urbina
a
;
b
;
Cesar H. Zambrano
a
;
b
;
F. Javier Torres
a
;
b
;
Luis Rincon
a
;
b
;
c
;
lrincon@ula.ve" class="auth_mail" title="E-mail the corresponding author
关键词:
Imidazolylidene carbenes
;
Singlet-triplet energy gap
;
Harmonic oscillator model of aromaticity
;
Aromatic stabilization energy
;
Nuclear independent chemical shift
;
Aromatic fluctuation index
刊名:Computational and Theoretical Chemistry
出版年:2016
2.
A computational investigation of
11
B and
15
N chemical shielding tensors as well as local aromaticity based on
NICS
characterization in the N/B doped triangular graphene quantum dots
作者:
Maryam Anafcheh
;
Reza Ghafouri
关键词:
Triangular graphene quantum dots
;
NMR
;
NICS
;
DFT
刊名:Superlattices and Microstructures
出版年:2013
3.
A theoretical investigation into the cooperativity effect involving anionic hydrogen bond, thermodynamic property and aromaticity in Cl
鈭?/sup>鈰痓enzonitrile鈰疕
2
O ternary complex
作者:
Guang-ming Zhao
a
;
Yu-cun Liu
a
;
Wen-jing Shi
b
;
wenjingfd@126.com" class="auth_mail
;
Tao Chai
a
;
Sheng-dong Qin
a
关键词:
Cooperativity effect
;
Anionic H-bond
;
Thermodynamic cooperativity
;
Aromaticity
;
MP2
刊名:Computational and Theoretical Chemistry
出版年:1 May, 2014
4.
Optical hyperlens composed of multilayered metallodielectric nanofilms
作者:
Gaige Zheng
a
;
njnanophoto
nics
@163.com" class="auth_mail
;
Linhua Xu
a
;
Yu Zhan
a
;
Wei Su
b
;
Yuzhu Liu
c
关键词:
42.25.Bs
;
42.82.Bq
;
78.20.Bh
刊名:Optik - International Journal for Light and Electron Optics
出版年:June 2014
5.
Subwavelength imaging through one-dimensional metallodielectric photonic crystals at optical frequencies
作者:
Linhua Xu
a
;
b
;
nuist_photo
nics
@126.com" class="auth_mail
;
Gaige Zheng
a
;
b
;
Kun Cao
a
;
Wei Su
c
;
Yuzhu Liu
d
关键词:
Subwavelength imaging
;
Multilayer metal-dielectric (M-D) structure
;
Eigen mode expansion (EME) method
刊名:Optik - International Journal for Light and Electron Optics
出版年:July 2014
6.
The impact of intramolecular H-bonding on the aromatic character of substituted penta-fulvenes
作者:
Ehsan Shakerzadeh
;
Elham Tahmasebi
;
Mohsen Oftadeh
关键词:
Intramolecular H-bonding
;
Aromaticity
;
Shannon Aromaticity (SA)
;
HOMA
;
NICS
;
FLU
刊名:Computational and Theoretical Chemistry
出版年:2013
7.
Tautomeric equilibria and aromaticity of phosphodiazoles: An ab initio study
作者:
Wojciech P. Oziminski
;
wojozim@gmail.com
关键词:
Phosphodiazoles
;
Tautomerism
;
MP2
;
QTAIM
;
pEDA
;
NICS
刊名:Computational and Theoretical Chemistry
出版年:2012
8.
Structural motifs, thermodynamic properties, bonding and aromaticity of sandwich complexes formed by alkaline earth metals with pentafulvene. A theoretical approach
作者:
Wojciech P. Oziminski
a
;
b
;
wojozim@gmail.com
关键词:
Pentafulvene
;
Alkaline earth
;
pEDA
;
HOMA
;
Aromaticity
;
Bonding
刊名:Journal of Organometallic Chemistry
出版年:2012
9.
The influence of aza-substitution on azole aromaticity
作者:
Christopher A. Ramsden
关键词:
Aromaticity
;
Azoles
;
ASE
;
HOMA
;
NICS
(1)
刊名:Tetrahedron
出版年:2010
10.
Aromaticity of topological isomers of cyclazines and their [14] to [18] annulenes
作者:
Hossein
;
Fallah-Bagher-Shaidaei
;
;
;
hossfallah@yahoo.com
;
;
h_fallah@iaurasht.ac.ir
;
Reza
;
Farkhonde
;
Leila Ghalandari
;
Navideh
关键词:
Aromaticity
;
Cyclazine
;
NICS
;
MSE
;
NMR
;
HOMA
刊名:Computational and Theoretical Chemistry
出版年:2011
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2
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