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在“
Wiley电子期刊
”中,
命中:
192
条,耗时:小于0.01 秒
在所有数据库中总计命中:
30,507
条
1.
Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d
10
[M(NHC)
n
] Complexes: A
DFT
Study
作者:
Dr. Jö
;
rn Nitsch
;
Dr. Lando P. Wolters
;
Dr. Cé
;
lia Fonseca Guerra
;
Prof. Dr. F. Matthias Bickelhaupt and Dr. Andreas Steffen
刊名:Chemistry - A European Journal
出版年:2017
2.
Copper-Mediated Selective Hydroxylation of a Non-activated C−H Bond in Steroids: A
DFT
Study
of Schönecker's Reaction
作者:
Dr. Puneet Gupta
;
Dr. Martin Diefenbach
;
Prof. Dr. Max C. Holthausen and Moritz Fö
;
rster
刊名:Chemistry - A European Journal
出版年:2017
3.
Specific Intermolecular Interactions in the Supramolecular Structure of 5-Hydroxy-6-Methyluracil: A
DFT
Study
of the Hydrogen-bonded Dimers
作者:
Regina Kh. Shayakhmetova
;
Edward M. Khamitov
;
Akhat G. Mustafin
;
Sergey P. Ivanov and Sergey L. Khursan
刊名:Journal of the Chinese Chemical Society
出版年:2017
4.
Theoretical Insights into the Synthesis of 2,3-Dihydropyridines from Unsaturated Oximes by Rh
III
-Catalyzed C-H Activation - A
DFT
Study
作者:
Xiang-Biao Zhang
;
Zhen-Yuan Hu
;
Gui-E Zhou and Song Wang
刊名:European Journal of Organic Chemistry
出版年:2017
5.
Structures, stabilities, and electronic properties of fullerene C
36
with endohedral atomic Sc, Y, and La: A dispersion-corrected
DFT
study
作者:
Alan Miralrio and Luis Enrique Sansores
刊名:International Journal of Quantum Chemistry
出版年:2017
6.
Regioselectivity and stereoselectivity of Diels-Alder reaction: a
DFT
study
on the functionalization of organic semiconductor crystals
作者:
Cheng-Xing Cui and Ya-Jun Liu
刊名:Journal of Physical Organic Chemistry
出版年:2017
7.
A Computational
Study
of Density of Some High Energy Molecules
作者:
John F. Moxnes
;
Finn K. Hansen
;
Tomas L. Jensen
;
Marta L. Sele and Erik Unneberg
刊名:Propellants, Explosives, Pyrotechnics
出版年:2017
8.
The self-consistent charge density functional tight-binding theory
study
of carbon adatoms using tuned Hubbard
U
parameters
作者:
Jia Wang
;
Xing Dai
;
Wanrun Jiang
;
Tianrong Yu and Zhigang Wang
刊名:International Journal of Quantum Chemistry
出版年:2017
9.
Theoretical
study
on the reaction mechanisms and stereoselectivities of DABCO-catalyzed Rauhut-Currier/cyclization reaction of methyl acrylate with 2-benzoyl-3-phenyl-acrylonitrile
作者:
Yan Li and Shiwen Du
刊名:International Journal of Quantum Chemistry
出版年:2017
10.
Theoretical
study
of the atrazine pesticide interaction with pyrophyllite and Ca
2+
-montmorillonite clay surfaces
作者:
Bastien Belzunces
;
Sophie Hoyau
;
Magali Benoit
;
Nathalie Tarrat and Fabienne Bessac
刊名:Journal of Computational Chemistry
出版年:2017
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