设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
GSW全文库(2)
万方学术会议(1)
CNKI学位论文(10552)
知网期刊论文(3436)
馆藏书目(1)
CNKI会议论文(39)
CNKI期刊论文0611(18)
万方学位论文(1)
在“
SpringerLink电子期刊
”中,
命中:
540
条,耗时:0.0289806 秒
在所有数据库中总计命中:
14,050
条
1.
Energetic homogeneity of thermally stabilized metal and metal-oxide surfaces, new oscillation
theory
of catalysis (OTCAT), and unification of
catalytic
mechanisms
作者:
Victor E. Ostrovskii
;
Elena A. Kadyshevich
关键词:
Calorimetric measurements
;
Calorimeters differential
;
Calorimetry of chemisorption
;
Catalytic
theory
;
Surface homogeneity
;
Catalytic
kinetics
刊名:Journal of Thermal Analysis and Calorimetry
出版年:2017
2.
DFT study on the effects of catalysis by β-cyclodextrin in the reaction of p-nitrophenyl acetate
作者:
Yamei Cheng
;
Xueye Wang
;
Weiwei Li
;
Dan Chang
关键词:β ;
cyclodextrin (β
;
CD)
;
Density functional
theory
(DFT)
;
Inclusion complex
p ;
nitrophenyl acetate
刊名:Journal of Molecular Modeling
出版年:2017
3.
Probing the activity of Ni
13
, Cu
13
, and Ni
12
Cu clusters towards the ammonia decomposition reaction by density functional
theory
作者:
Shuangjing Chen
;
Xin Chen
;
Hui Zhang
刊名:Journal of Materials Science
出版年:2017
4.
Kinetics and mechanism of producing 3,8-dimethyl-3
H
-imidazo[4,5-
a
]acridine-11-carbonitrile: a DFT investigation
作者:
Fatemeh Zonozi
;
S. Ali Beyramabadi
;
Mehdi Pordel…
关键词:
Acridine
;
DFT
;
PCM
;
Kinetics
;
Mechanism
;
Tautomerization
刊名:Research on Chemical Intermediates
出版年:2017
5.
Gas-phase reactions of cationic molybdenum and tungsten monoxide with ethanol: a combined experimental/computational exercise
作者:
Patricio González-Navarrete
;
Maria Schlangen
;
Helmut Schwarz
关键词:
Ethanol
;
Gas
;
phase reactivity
;
Molybdenum
;
Tungsten
;
Dehydration
;
Dehydrogenation
刊名:Structural Chemistry
出版年:2017
6.
Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study
作者:
Qiang Wang
;
Xinyan Wang
;
Jianlan Liu
;
Yanhui Yang
关键词:
Cu–Ni core–shell nanoparticle
;
Stability
;
Charge transfer
;
Electronic and magnetic properties
;
Modeling and simulation
刊名:Journal of Nanoparticle Research
出版年:2017
7.
Effect of alloying on the stabilities and
catalytic
properties of Pt–Au bimetallic subnanoclusters: a theoretical investigation
作者:
Yuhua Chi
;
Lianming Zhao
;
Xiaoqing Lu
;
Changhua An…
关键词:
DFT
;
Bimetallic subnanocluster
;
Catalytic
property
;
Alloying effect
;
Modeling and simulations
;
Density function
theory
刊名:Journal of Nanoparticle Research
出版年:2016
8.
The
catalytic
mechanism of CO oxidation in AlAu6 clusters determined by density functional
theory
作者:
A. Li
;
L. Guo
;
X. An
;
N. Liu
;
Z. Cao
;
W. Li
;
X. Zheng…
关键词:
CO oxidation
;
AlAu6 cluster
;
catalytic
mechanism
刊名:Journal of Structural Chemistry
出版年:2016
9.
Role of water clusters in the reaction of the simplest Criegee intermediate CH
2
OO with water vapour
作者:
Long Chen
;
Wenliang Wang
;
Liting Zhou
;
Weina Wang…
关键词:
Criegee intermediates
;
CH2OO
;
Water clusters
;
Reaction mechanisms
;
Transition state
theory
;
Rate coefficient
;
Relative reaction rates
刊名:Theoretical Chemistry Accounts:
Theory
, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2016
10.
Pd
3
cluster catalysis: Compelling evidence from in operando spectroscopic, kinetic, and density functional
theory
studies
作者:
Chunlin Lv
;
Hao Cheng
;
Wei He
;
Muhammad Ishaq Ali Shah
;
Congqiao Xu…
关键词:
metal cluster catalysis
;
operando studies
;
active species
;
cycloisomerization
;
palladium
刊名:Nano Research
出版年:2016
1
2
3
4
5
6
7
8
9
按检索点细分(540)
题名(16)
关键词(23)
文摘(348)
按出版年细分(540)
2017年(6)
2016年(42)
2015年(53)
2014年(47)
2013年(61)
2012年(47)
2011年(11)
2010年(18)
2009年(18)
2008年(28)
2007年(49)
2006年(31)
2005年(15)
2004年(20)
2003年(19)
2002年(16)
2001年(24)
2000年(13)
2000年及以前(22)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.