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CNKI期刊论文0611(13)
知网期刊论文(1387)
在“
SpringerLink电子期刊
”中,
命中:
74
条,耗时:0.0429801 秒
在所有数据库中总计命中:
6,009
条
1.
A computational study on the role
of
noncovalent interactions in the stability
of
polymer/
graph
ene nanocomposites
作者:
S. Güryel
;
M. Alonso
;
B. Hajgató
;
Y. Dauphin
;
G. Van Lier…
关键词:
Non covalent interactions
;
Polymer
graph
ene nanocomposites
;
NCI analysis
;
Functionalized polymer building blocks
刊名:Journal
of
Molecular
Modeling
出版年:2017
2.
Regularities
of
the sorption
of
1,2,3,4-tetrahydroquinoline
derivative
s under conditions
of
reversed phase HPLC
作者:
N. A. Nekrasova
;
S. V. Kurbatova
;
M. N. Zemtsova
关键词:
reversed phase high
;
performance liquid chromato
graph
y
1234 ;
tetrahydroquinoline
derivative
s
;
octadecyl silica gel
;
porous
graph
itized carbon
刊名:Russian Journal
of
Physical Chemistry A, Focus on Chemistry
出版年:2016
3.
Entropy characteristics
of
adsorption
of
benzene
derivative
s from aqueous-methanol solutions on the
graph
ite-like adsorbent
作者:
D. A. Svetlov
;
E. A. Yashkina
;
A. S. Popov
;
S. N. Yashkin
关键词:
adsorption
;
entropy
of
adsorbed substance
;
liquid chromato
graph
y
;
benzene
derivative
s
;
solvation effects
;
graph
ite
;
like adsorbents
刊名:Russian Chemical Bulletin
出版年:2015
4.
Derivative
s in discrete mathematics: a novel
graph
-theoretical invariant for generating new 2/3D
molecular
descriptors. I. Theory and QSPR application
作者:
Yovani Marrero-Ponce (1) (2)
Oscar Martínez Santiago (1) (3)
Yoan Martínez López (1) (4)
Stephen J. Barigye (1)
Francisco Torrens (2)
关键词:
Discrete mathematics
;
Chemical
graph
theory
;
Molecular
graph
;
Sub
;
graph
;
Incidence matrix
;
Frequency matrix
;
Derivative
of
molecular
graph
;
Invariant
;
QSPR study
;
Physicochemical property
;
Derivative
s
of
2
;
furylethylene
刊名:Journal
of
Computer-Aided
Molecular
Design
出版年:2012
5.
Molecular
dynamics simulation
of
halogen bonding mimics experimental data for cathepsin L inhibition
作者:
Cristian Celis-Barros
;
Leslie Saavedra-Rivas…
关键词:
Halogen bonding
;
MD simulation
;
Halogenated inhibitors
;
Cathepsin L
;
Interactions
刊名:Journal
of
Computer-Aided
Molecular
Design
出版年:2015
6.
Energetic stability, atomic and electronic structures
of
extended γ-
graph
yne: A density functional study
作者:
Baoqian Chi
;
Yi Liu
;
Xiaowu Li
;
Jingcheng Xu
;
Xuming Qin…
关键词:
Carbon chain
;
Density functional calculations
;
Electronic structures
;
Graph
yne
;
sp hybridization
刊名:Journal
of
Molecular
Modeling
出版年:2015
7.
Easy preparation
of
graph
ene-based conducting polymer composite via organogel
作者:
Rie Yamazaki Kuwahara
;
Takuya Oi
;
Kumi Hashimoto…
关键词:
Reduced
graph
ene oxide
;
Conducting polymer
;
Organogel
;
Composite material
;
Electrical conductivity
;
Organogelator
刊名:Colloid & Polymer Science
出版年:2015
8.
Theoretical study
of
the mechanism
of
highly diastereoselective formation
of
a strained 3-azabicyclo[3.2.0]heptane
derivative
作者:
Maryam Nemati (1)
Nematollah Arshadi (1)
1. Department
of
Chemistry
;
Faculty
of
Sciences
;
University
of
Zanjan
;
Zanjan
;
Iran
关键词:
Density functional theory (DFT) calculations
;
Diastereoslectivity
;
Highly strained bicyclic compounds
;
Iminium ion
;
Multicomponent reactions鈥?mechanism
刊名:Journal
of
Molecular
Modeling
出版年:2015
9.
Switching and memory effects in composite films
of
semiconducting polymers with particles
of
graph
ene and
graph
ene oxide
作者:
P. S. Krylov
;
A. S. Berestennikov
;
A. N. Aleshin…
刊名:Physics
of
the Solid State
出版年:2015
10.
The DFT study on the reaction between benzaldehyde and 4-amine-4H-1,2,4-triazole and their
derivative
s as a source
of
stable hemiaminals and schiff bases. Effect
of
substitution and solvation on the reaction mechanism
作者:
Slawomir Berski
;
Agnieszka J. Gordon…
关键词:
Bonding
;
DFT
;
ELF
;
Hammett constant
;
Hemiaminal
;
Mechanism
;
Schiff
;
Substituent
刊名:Journal
of
Molecular
Modeling
出版年:2015
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