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知网期刊论文(393)
在“
SpringerLink电子期刊
”中,
命中:
431
条,耗时:0.0329822 秒
在所有数据库中总计命中:
1,516
条
1.
EPR and DFT study of the ethylene
reaction
with O
−
radicals on the surface of nanocrystalline MgO
作者:
Alexander M. Volodin
;
Vasilii I. Avdeev…
关键词:
O− radicals
;
MgO
;
DFT
;
EPR
;
Ethylene
刊名:Research on Chemical Intermediates
出版年:2017
2.
Theoretical structural and electronic analyses with emphasis on the reactivity of iron oxide prototypes in methane C–H bond activation
作者:
Telles Cardoso Silva
;
Katia Júlia de Almeida…
关键词:
C–H bond activation
;
Iron oxides
;
Theoretical calculations
;
Gas phase
;
Methane
刊名:
Reaction
Kinetics, Mechanisms and Catalysis
出版年:2017
3.
Quantum Chemical Approach for Determining Degradation Pathways of Phenol by Electrical Discharge Plasmas
作者:
Xiangru Fan
;
John B. McLaughlin
;
Artem Melman…
关键词:
Density functional theory
;
Electrical discharge
;
Phenol
;
Plasma
刊名:Plasma Chemistry and Plasma Processing
出版年:2017
4.
Laccase catalysis for the synthesis of bioactive compounds
作者:
Tukayi Kudanga
;
Blessing Nemadziva…
关键词:
Laccase
;
Bioactive compounds
;
Oxidative coupling
;
Structure
;
activity relationship
刊名:Applied Microbiology and Biotechnology
出版年:2017
5.
Kinetics investigation of the hydrogen
abstraction
reaction
between CH3SS and CN radicals
作者:
Liu Yan
;
Wang Wenliang
;
Liu Zhongwen
;
Ren Hongjiang
关键词:
CH3SS
;
CN
;
Hydrogen
abstraction
reaction
;
DFT
刊名:Journal of Molecular Modeling
出版年:2016
6.
Rate constants and isotope effects for the
reaction
of H-atom
abstraction
from RH substrates by PINO radicals
作者:
I. A. Opeida
;
Yu. E. Litvinov
;
O. V. Kushch…
关键词:
oxidation
N ;
hydroxyphthalimide
;
phthalimide
N ;
oxyl radical
;
abstraction
reaction
;
tunneling
刊名:Russian Journal of Physical Chemistry A, Focus on Chemistry
出版年:2016
7.
Theoretical investigation on the kinetics and thermochemisty of H-atom
abstraction
reaction
s of 2-chloroethyl methyl ether (CH
3
OCH
2
CH
2
Cl) with OH radical at 298 K
作者:
Nand Kishor Gour
;
Bhupesh Kumar Mishra
;
Iftikar Hussain…
关键词:
HCEs
;
CTST
;
IRC
;
M06
;
2X
;
CCSD (T)
刊名:Structural Chemistry
出版年:2016
8.
Theoretical investigation on the
reaction
mechanism and kinetics of benzyl alcohol with OH radical
作者:
Cuihong Sun
;
Liqiang Lv
;
Shaowen Zhang
关键词:
Benzyl alcohol
;
van der Waals complex
;
Reaction
mechanism
;
Kinetics
;
Branching ratio
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2016
9.
Global
reaction
route mapping of water-catalysed gas phase oxidation of glyoxylic acid with hydroxyl radical
作者:
Gurpreet Kaur
;
Vikas
关键词:
GRRM
;
Glyoxylic acid
;
Oxidation
;
Hydrogen
abstraction
;
Water catalysis
刊名:Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
出版年:2016
10.
Rate coefficients for hydrogen
abstraction
reaction
of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study
作者:
G SRINIVASULU
;
B RAJAKUMAR
刊名:Journal of Chemical Sciences
出版年:2016
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