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SpringerLink电子期刊(1)
Elsevier电子期刊(22)
ACS电子期刊(8)
在“
Elsevier电子期刊
”中,
命中:
22
条,耗时:0.0829597 秒
在所有数据库中总计命中:
31
条
1.
Structural investigation of ¦Á-LaZr
2
F
11
by coupling X-ray powder diffraction,
19
F solid state
NMR
and DFT calculations
作者:
Charlotte Martineau
a
;
1
;
charlotte.martineau@chimie.uvsq.fr
;
Christophe Legein
a
;
christophe.legein@univ-lemans.fr
;
Monique Body
a
;
monique.body@univ-lemans.fr
;
Olivier Pé
;
ron
a
;
2
;
olivier.peron@subatech.in2p3.fr
;
Brigitte Boulard
a
;
brigitte.boulard@univ-lemans.fr
;
Franck Fayon
b
;
fayon@cnrs-orleans.fr
关键词:
Inorganic fluorides
;
X-ray powder diffraction
;
19F solid state
NMR
;
DFT calculations
刊名:Journal of Solid State Chemistry
出版年:2013
2.
Computed
NMR
shielding
of phosphorus-containing conjugated five-membered ring heterocycles as a measure of aromaticity
作者:
Ned H. Martin
;
martinn@uncw.edu
;
Jonathan D. Robinson
关键词:
NMR
shielding
;
GIAO
;
HF/6-31G(d
;
p)
;
Aromaticity
;
Phosphorus
;
Heterocycles
刊名:Journal of Molecular Graphics and Modelling
出版年:2012
3.
Synthesis and structural studies of 4-[(5-methoxy-1H-indole-3-yl)-methylene]-3-methyl-isoxazole-5-one by X-ray crystallography,
NMR
spectroscopy, and DFT calculations
作者:
X.H. Zhang
a
;
b
;
L.Y. Wang
a
;
wanglany@nwu.edu.cn"" rel=""nofollow
;
Y.H. Zhan
b
;
Y.L. Fu
a
;
G.H. Zhai
a
;
Z.Y. Wen
c
关键词:
Merocyanine dye with isoxazolone nucleus
;
X-ray diffraction
;
H-bond
;
π
;
;
//www.sciencedirect.com/scidirimg/entities/22ef.gif"" alt=""cdots
;
three dots
;
centered"" title=""cdots
;
three dots
;
centered"" border=""0"">π
;
interaction
;
NMR
;
DFT
刊名:Journal of Molecular Structure
出版年:2011
4.
Quantitative study and visualization of spherical 2(N + 1)
2
homoaromaticity by
through
space
NMR
shielding
s (TSNMRS)
作者:
Erich Kleinpeter
;
Andreas Koch
关键词:
Through
space
NMR
shielding
values
;
Ab initio
calculation
;
GIAO
;
NICS
;
Spherical aromaticity
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
5.
Computed
NMR
shielding
increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity
作者:
Ned H. Martin
;
Jimmy E. Rowe
;
Eddie LaReece Pittman
关键词:
NMR
shielding
;
GIAO
;
HF/6-31G(d
;
p)
;
Aromaticity
;
Benzo-analogs of conjugated five-membered heterocyclic rings
刊名:Journal of Molecular Graphics and Modelling
出版年:2010
6.
Computation of
through
-
space
NMR
shielding
effects in aromatic ring π-stacked complexes
作者:
Ned H. Martin
;
Ruth M. Floyd
;
H. Lee Woodcock
;
Scott Huffman
;
Chang-Kiu Lee
关键词:
NMR
;
Through
-
space
shielding
effects
;
HF-GIAO calculations
;
Aryl–
;
aryl π
;
-stacked complex
;
Concentration-dependent
NMR
chemical shifts
刊名:Journal of Molecular Graphics and Modelling
出版年:2008
7.
Ab initio calculation of
through
-
space
magnetic
shielding
of linear polycyclic aromatic hydrocarbons (acenes): Extent of aromaticity
作者:
Ned H. Martin
;
Brian W. Caldwell
;
Katie P. Carlson
;
Matthew R. Teague
关键词:
NMR
shielding
;
GIAO
;
Aromaticity
;
Polycyclic aromatic hydrocarbons (PAHs)
;
Acenes
刊名:Journal of Molecular Graphics and Modelling
出版年:2009
8.
Trisannelated benzenes – Aromatic molecules or 1,3,5-cyclohexatriene derivatives subjected to magnetic properties
作者:
Erich Kleinpeter
;
Andreas Koch
关键词:
Through
space
NMR
shielding
values
;
Ab initio calculation
;
GIAO
;
NICS
;
Tricyclobutabenzene
;
[4
n
]Annuleno[4
n
+ 2]annulene
;
Aromaticity
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
9.
Computation of
through
-
space
NMR
shielding
effects by aromatic ring–cation complexes: Substantial synergistic effect of complexation
作者:
Ned H. Martin
;
Kristin L. Main
;
Amy K. Pyles
关键词:
NMR
;
Through
-
space
shielding
effects
;
GIAO
;
Benzene
;
Benzene–
;
cation complex
;
Synergistic
shielding
effect
刊名:Journal of Molecular Graphics and Modelling
出版年:2007
10.
Cyclobutadiene dianion derivatives – Planar 4c,6e
作者:
Erich Kleinpeter
;
Andreas Koch
;
Bagrat A. Shainyan
关键词:
Through
space
NMR
shielding
values
;
Ab initio calculation
;
GIAO
;
NICS
;
Cyclobutadiene dianion derivatives
;
Planar aromaticity
;
Three-dimensional aromaticity
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2008
1
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