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内部出版物
SpringerLink电子期刊(10)
在“
SpringerLink电子期刊
”中,
命中:
10
条,耗时:0.0259874 秒
在所有数据库中总计命中:
10
条
1.
Reliable Measurements of Dipole Moments from Single-Crystal Diffraction Data and Assessment of an In-Crystal Enhancement
作者:
B. Dittrich (1) bdittri@gwdg.de
D. Jayatilaka (2)
关键词:
Single
;
crystal X
;
ray diffraction
8211
;
molecular dipole moment
8211
;
dipole
;
moment enhancement
8211
;
multipole
model
8211
;
wavefunction fitting
8211
;
hirshfeld
;
atom
refinement
刊名:Structure & Bonding
出版年:2012
2.
Electronic Structure and Chemical Properties of Lithium Organics Seen Through the Glasses of Charge Density
作者:
Dirk Leusser (1) dleusser@gmx.de
关键词:
lithium organics
8211
;
experimental charge density
8211
;
multipole
refinement
8211
;
topological analysis
8211
;
electron density distribution
刊名:Structure & Bonding
出版年:2012
3.
Charge Density Methods in Hydrogen Bond Studies
作者:
Jacob Overgaard (1) jacobo@chem.au.dk
Bo B. Iversen (1)
关键词:
Bond critical point
8211
;
Energy density
8211
;
Hydrogen bonds
8211
;
Low barrier hydrogen bond
8211
;
Multipole
refinement
8211
;
Source function
8211
;
Topological analysis
刊名:Structure & Bonding
出版年:2012
4.
New Directions in Pseudoatom-Based X-Ray Charge Density Analysis
作者:
Tibor Koritsanszky (1) tkoritsa@mtsu.edu
Anatoliy Volkov (1)
Michal Chodkiewicz (1)
关键词:
Electron density
8211
;
Pseudoatom model
8211
;
Radial functions
8211
;
Stockholder partitioning
8211
;
X
;
ray diffraction
刊名:Structure & Bonding
出版年:2012
5.
Residual Density Analysis
作者:
Kathrin Meindl (1)
Julian Henn (2) julian.henn@uni-bayreuth.de
关键词:
Charge density
8211
;
Systematic sources of error
8211
;
Topology
刊名:Structure & Bonding
出版年:2012
6.
Experimental
multipole
-refined and theoretical charge density study of LiGaSi
2
O
6
clinopyroxene at ambient conditions
作者:
R. Bianchi
;
A. Forni
;
F. C¨¢mara
;
R. Oberti and H. Ohashi
关键词:
Clinopyroxene
;
Multipole
refinement
;
First
;
principles calculations
刊名:Physics and Chemistry of Minerals
出版年:2007
7.
Study of the electron density in MgO, (Mg0.963Fe0.037)O and Cu2O by the maximum entropy method and
multipole
refinement
s: comparison between methods
作者:
M. Merli
;
A. Pavese and M. Ranzini
关键词:
Keywords
;
Electron density
;
Maximum entropy
;
Multipole
refinement
s
;
Periclase
;
Cuprite
刊名:Physics and Chemistry of Minerals
出版年:2002
8.
Study of the electron density in MgO, (Mg
0.963
Fe
0.037
)O and Cu
2
O by the maximum entropy method and
multipole
refinement
s: comparison between methods
作者:
M. Merli
;
A. Pavese and M. Ranzini
关键词:
Keywords
;
Electron density
;
Maximum entropy
;
Multipole
refinement
s
;
Periclase
;
Cuprite
刊名:Physics and Chemistry of Minerals
出版年:2002
9.
The charge-density distribution, its
multipole
refinement
and the antiferromagnetic structure of dioptase, Cu
6
[Si
6
O
18
]¡¤6H
2
O
作者:
E. L. Belokoneva
;
Yu. K. Gubina
;
J. B. Forsyth and P. J. Brown
关键词:
Keywords
;
Dioptase
;
Experimental charge density
;
Orbital occupation
;
Antiferromagnetic structure
刊名:Physics and Chemistry of Minerals
出版年:2002
10.
The charge density distribution and antiferromagnetic properties of azurite Cu
3
[CO
3
]
2
(OH)
2
作者:
E. L. Belokoneva
;
Yu. K. Gubina and J. B. Forsyth
关键词:
Key words
;
Azurite
;
Experimental charge density
;
Orbital occupation
;
Antiferromagnetic properties
刊名:Physics and Chemistry of Minerals
出版年:2001
1
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