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SpringerLink电子期刊(44)
Elsevier电子期刊(99)
ACS电子期刊(69)
在“
Elsevier电子期刊
”中,
命中:
99
条,耗时:0.0449469 秒
在所有数据库中总计命中:
213
条
1.
Can two H
2
molecules be inserted into C
60
- an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H
2
@C
60
complex
作者:
Grygoriy A. Dolgonos
a
;
b
;
dolgonos@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Gilles H. Peslherbe
c
关键词:
Computational chemistry
;
Endohedral
fullerene
complex
es
;
Geometry optimization
;
Vibrational frequencies
;
Accurate quantum-chemistry calculations
刊名:Chemical Physics Letters
出版年:2016
2.
Sc
3
N and Sc
2
C
2
encapsulated B
40
: Smarter than its carbon analogue
作者:
Esha V. Shah
;
Debesh R. Roy
;
drr@ashd.svnit.ac.in" class="auth_mail" title="E-mail the corresponding author
关键词:
Density functional theory (DFT)
;
Endohedral
Metallofullerenes
;
Borospherene
;
Atomic Clusters
;
NICS
刊名:Physica E: Low-dimensional Systems and Nanostructures
出版年:2016
3.
Endohedral
dibenzenechromium
作者:
Roberto Salcedo
;
salcedo@unam.mx" class="auth_mail" title="E-mail the corresponding author
关键词:
Dibenzene chromium
;
Endohedral
complex
es
;
Theoretical simulations
;
Large fullerene
complex
es
;
Endo and exo isomers
刊名:Polyhedron
出版年:2015
4.
A density functional study of silicon fullerene
endohedral
X@Si
20
F
20
and exohedral X-Si
20
F
20
(X=O
2鈭?/sup>, S
2鈭?/sup>, Se
2鈭?/sup>)
complex
es
作者:
Hadi Behzadi
;
Mehdi D. Esrafili
;
Sergio Manzetti
;
Payman Roonasi
关键词:
Fullerene
;
Silicon
;
Endohedral
complex
;
Exohedral
complex
;
Density functional theory
;
Interaction energy
刊名:Physica E
出版年:February, 2014
5.
Theoretical investigation of
endohedral
complex
es of Si and Ge with C
60
molecule
作者:
Nibras Mossa Umran
;
Ranjan Kumar
关键词:
Fullerene
;
Ab initio calculations
;
Endohedral
doping
;
Electronic structure
;
Magnetic moment
;
Binding energy
刊名:Physica B
出版年:15 March, 2014
6.
Lanthanides and actinides: Annual survey of their organometallic chemistry covering the year 2012
作者:
Frank T. Edelmann
关键词:
Lanthanides
;
Actinides
;
Cyclopentadienyl
complex
es
;
Cyclooctatetraenyl
complex
es
;
Organometallic chemistry
刊名:Coordination Chemistry Reviews
出版年:15 February, 2014
7.
Theoretical insights into the chemical bonding in actinide
complex
es
作者:
Jean-Pierre Dognon
;
jean-pierre.dognon@cea.fr" class="auth_mail
关键词:
f-Elements
;
Actinide
complex
es
;
Molecular wavefunction analysis
;
Quantum chemical topology
;
Energy decomposition analysis
;
Bonding analysis
刊名:Coordination Chemistry Reviews
出版年:May, 2014
8.
Fullerene based
endohedral
metallocenes
作者:
P. Ravinder
;
V. Subramanian
关键词:
Endohedral
complex
es
;
Half-sandwich
complex
es
;
Energy Decomposition Analysis (EDA)
;
DFT
;
Exohedral sandwich
complex
es
;
Confinement effect
刊名:Computational and Theoretical Chemistry
出版年:2012
9.
New features in coordination chemistry: Valuable hints from X-ray analyses of
endohedral
metallofullerenes
作者:
Yun-Peng Xie
a
;
Xing Lu
a
;
b
;
lux@mail.hust.edu.cn
;
Takeshi Akasaka
b
;
akasaka@tara.tsukuba.ac.jp
;
Shigeru Nagase
c
关键词:
Coordination chemistry
;
Fullerene
;
Single crystal X-ray crystallography
;
Endohedral
metallofullerene
刊名:Polyhedron
出版年:2013
10.
Theoretical studies on the interaction of some
endohedral
fullerenes {[X@C
60
]
鈭?/sup> (X = F
鈭?/sup>, Cl
鈭?/sup>, Br
鈭?/sup>) or [M@C
60
] (M = Li, Na, K)} with [Al(H
2
O)
6
]
3+
and [Mg(H
2
O)
6
]
2+
cations
作者:
Sadegh Salehzadeh
;
saleh@basu.ac.ir" class="auth_mail
;
Fereshteh Yaghoobi
;
Mehdi Bayat
关键词:
Theoretical study
;
Interaction energy
;
Endofullerene
;
Hydrated metal ions
刊名:Computational and Theoretical Chemistry
出版年:15 April, 2014
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