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在“
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命中:
13,383
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在所有数据库中总计命中:
75,422
条
1.
Reaction
mechanism
and kinetic modeling for the hydrodeoxygenation of triglycerides over alumina supported nickel catalyst
作者:
Sudhakara Reddy Yenumala
;
Sunil K. Maity…
关键词:
Triglyceride
;
Hydrodeoxygenation
;
Reaction
mechanism
;
Kinetics
;
Nickel
;
alumina
刊名:
Reaction
Kinetics,
Mechanism
s and Catalysis
出版年:2017
2.
Structures and
mechanism
s in chemical
reaction
s: George A. Olah’s life-long search of chemistry
作者:
Istvan Hargittai
关键词:
George A. Olah
;
Carbocations
;
Superacids
;
Hydrocarbon chemistry
;
Reaction
mechanism
;
Methanol economy
刊名:Structural Chemistry
出版年:2017
3.
A DFT computational study of the molecular
mechanism
of [3 + 2] cycloaddition
reaction
s between nitroethene and benzonitrile
N
-oxides
作者:
Radomir Jasiński
;
Ewa Jasińska
;
Ewa Dresler
关键词:
[3 + 2] cycloaddition
;
Nitroalkenes
;
Nitrile N
;
oxides
;
Mechanism
;
DFT study
刊名:Journal of Molecular Modeling
出版年:2017
4.
Theoretical studies of some bimolecular
reaction
s during the decomposition of CH
3
NO
2
:
reaction
s between NO
2
and nine intermediates
作者:
Ji-Dong Zhang
;
Li-Li Zhang
;
Xin-Lu Cheng
关键词:
NO2
;
Nitromethane
;
Pyrolysis
;
Reaction
刊名:Journal of Molecular Modeling
出版年:2017
5.
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
6.
The plastoquinol–plastoquinone exchange
mechanism
in photosystem II: insight from molecular dynamics simulations
作者:
Veranika Zobnina
;
Maya D. Lambreva
;
Giuseppina Rea…
关键词:
Photosystem II
;
plastoquinone
;
Plastoquinol
;
Protein dynamics
;
Molecular dynamics simulations
;
Plastoquinol release
mechanism
刊名:Photosynthesis Research
出版年:2017
7.
Instability of turing patterns in
reaction
-diffusion-ODE systems
作者:
Anna Marciniak-Czochra
;
Grzegorz Karch
;
Kanako Suzuki
关键词:
Pattern formation
;
Reaction
;
diffusion equations
;
Autocatalysis
;
Turing instability
;
Unstable stationary solutions
刊名:Journal of Mathematical Biology
出版年:2017
8.
Investigation of energetic materials prepared by
reaction
s of diamines with picryl chloride
作者:
Melike Atakol
;
Arda Atakol…
关键词:
Energetic materials
;
Molecular structure
;
Thermal analysis
;
CBS
;
4M enthalpy
;
Explosion
mechanism
刊名:Journal of Thermal Analysis and Calorimetry
出版年:2017
9.
Experimental and numerical simulation study of the mineral sequestration
mechanism
of the Shiqianfeng saline aquifers in the Ordos Basin, Northwest China
作者:
Yuyu Wan
;
Shanghai Du
;
Guangyu Lin
;
Fengjun Zhang…
关键词:
CO2 geological sequestration
;
Mineral sequestration
mechanism
;
Deep saline aquifer
;
Ordos Basin
;
TOUGHREACT code
刊名:Environmental Earth Sciences
出版年:2017
10.
Tuning of energetics and
reaction
mechanism
of water-assisted intramolecular proton transfer of 7-azaindole by external electric field applied in various directions: a TD-DFT study
作者:
Yazhen Li
;
Yuanying Li
;
Qingqing Su
;
Bin Wang
;
Ni Guo…
关键词:
Molecular switch
7 ;
Azaindole
;
Water
;
assisted proton transfer
;
Electric fields
;
TD
;
DFT
刊名:Theoretical Chemistry Accounts
出版年:2017
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