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知网期刊论文(2823)
在“
Wiley电子期刊
”中,
命中:
36
条,耗时:小于0.01 秒
在所有数据库中总计命中:
11,804
条
1.
Crystal
structure
prediction
by ionic network analysis: the example of (
p
-
T
-
X
)-
structure
relationships in olivines
作者:
Noel W. Thomas
关键词:
crystal
structure
prediction
;
olivine
;
crystal
structure
;
(p&ndash
;
T&ndash
;
X)
刊名:Acta
Crystal
lographica Section B
出版年:2017
2.
Crystal
structure
of human chondroadherin: solving a difficult molecular-replacement problem using
de novo
models
作者:
Sebastian Rä
;
misch
;
Anna Pramhed
;
Viveka Tillgren
;
Anders Aspberg and Derek T. Logan
关键词:
chondroadherin
;
small leucine-rich repeat proteins
;
extracellular matrix
;
integrin binding
;
collagen binding
;
de novo models
;
molecular replacement
;
structure
prediction
刊名:Acta
Crystal
lographica Section D
出版年:2017
3.
Oscail
, a program package for small-molecule single-
crystal
crystal
lography with
crystal
morphology
prediction
and molecular modelling
作者:
Patrick McArdle
关键词:
computer programs
;
small-molecule
crystal
lography
;
lattice analysis
;
photorealism
;
movies
刊名:Journal of Applied
Crystal
lography
出版年:2017
4.
The
Structure
of Glycine Dihydrate: Implications for the
Crystal
lization of Glycine from Solution and Its Structure in Outer Space
作者:
Wenqian Xu
;
Qiang Zhu and Chunhua (Tony) Hu
刊名:Angewandte Chemie
出版年:2017
5.
The
Structure
of Glycine Dihydrate: Implications for the
Crystal
lization of Glycine from Solution and Its Structure in Outer Space
作者:
Wenqian Xu
;
Qiang Zhu and Chunhua (Tony) Hu
刊名:Angewandte Chemie International Edition
出版年:2017
6.
Using
crystal
structure
prediction
to rationalize the hydration propensities of substituted adamantane hydrochloride salts
作者:
Sharmarke Mohamed
;
Durga Prasad Karothu and Panče Naumov
关键词:
crystal
structure
prediction
;
hydrate formation
;
crystal
hydration
;
chloride salt hydrates
;
solvent accessible voids
;
hydrochloride salts
;
co
crystal
s
刊名:Acta
Crystal
lographica Section B
出版年:2016
7.
Prediction
of two-dimensional materials by the global optimization approach
作者:
Teng Gu
;
Wei Luo and Hongjun Xiang
刊名:Wiley Interdisciplinary Reviews: Computational Molecular Science
出版年:2017
8.
First-principles modeling of molecular
crystal
s:
structure
s and stabilities, temperature and pressure
作者:
Johannes Hoja
;
Anthony M. Reilly and Alexandre Tkatchenko
刊名:Wiley Interdisciplinary Reviews: Computational Molecular Science
出版年:2017
9.
Transferable force field for
crystal
structure
prediction
s, investigation of performance and exploration of different rescoring strategies using DFT-D methods
作者:
Anders Broo and Sten O. Nilsson Lill
关键词:
crystal
structure
prediction
;
polymorphism
;
dispersion-corrected density-functional theory
;
force-field methods
刊名:Acta
Crystal
lographica Section B
出版年:2016
10.
Crystal
structure
prediction
of rigid molecules
作者:
Dennis M. Elking
;
Laszlo Fusti-Molnar and Anthony Nichols
关键词:
crystal
structure
prediction
;
force field
;
multipole
刊名:Acta
Crystal
lographica Section B
出版年:2016
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