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在“
ACS电子期刊
”中,
命中:
158
条,耗时:0.050977 秒
在所有数据库中总计命中:
7,011
条
1.
Computational Insights on the Mechanism of H2 Activation at Ir2S2(PPh3)4: A Combination of Multiple Reaction Pathways Involving Facile H Migration Processes
作者:
Andrés G. Algarra
刊名:Inorganic Chemistry
出版年:20
1
7
2.
Combining Internally Contracted States and Matrix Product States To Perform Multireference Perturbation Theory
作者:
Sandeep SharmaGerald Knizia
;
Sheng Guo
;
Ali Alavi
刊名:Journal of Chemical Theory and Computation
出版年:20
1
7
3.
Absence of Intramolecular Charge Transfer with 4-Fluoro-N,N-dimethylaniline (DMA4F), Contrary to an Experimental Report Supported by Computations
作者:
Klaas A. ZachariasseAttila Demeter
;
Sergey I. Druzhinin
刊名:Journal of Physical Chemistry A
出版年:20
1
7
4.
Regulatory Implications of Structural Changes in Tyr20
1
of the Oxygen Sensor Protein FixL
作者:
Takeo Yamawaki
;
Haruto Ishikawa
;
Misao Mizuno
;
Hiro Nakamura
;
Yoshitsugu Shiro
;
Yasuhisa Mizutani
刊名:Biochemistry
出版年:20
1
6
5.
Toward a
Gene
ral Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional Coordinate
作者:
Andrea Piserchia
;
Vincenzo Barone
刊名:Journal of Chemical Theory and Computation
出版年:20
1
6
6.
Photoinduced Charge Separation within Metallo-supramolecular Wires Built around a [Ru(bpy)3]2+–Bisterpyridine Linear Entity
作者:
Rajaa Farran
;
Damien Jouvenot
;
Béatrice Gennaro
;
Frédérique Loiseau
;
Jérôme Chauvin
;
Alain Deronzier
刊名:ACS Applied Materials & Interfaces
出版年:20
1
6
7.
LFQProfiler and RNPxl: Open-Source Tools for Label-Free Quantification and Protein–RNA Cross-Linking Integrated into Proteome Discoverer
作者:
Johannes Veit
;
Timo Sachsenberg
;
Aleksandar Chernev
;
Fabian Aicheler
;
Henning Urlaub
;
Oliver Kohlbacher
刊名:Journal of Proteome Research
出版年:20
1
6
8.
Doping Evolution and Junction Formation in Stacked Cyanine Dye Light-Emitting Electrochemical Cells
作者:
Sandra Jenatsch
;
Lei Wang
;
Matia Bulloni
;
Anna C. Véron
;
Beat Ruhstaller
;
Stéphane Altazin
;
Frank Nüesch
;
Roland Hany
刊名:ACS Applied Materials & Interfaces
出版年:20
1
6
9.
Synthesis, High-Resolution Infrared Spectroscopy, and Vibrational Structure of Cubane, C8H8
作者:
V. Boudon
;
M. Lamy
;
F. Dugue-Boyé
;
O. Pirali
;
S. Gruet
;
L. D’Accolti
;
C. Fusco
;
C. Annese
;
M. E. Alikhani
刊名:Journal of Physical Chemistry A
出版年:20
1
6
10.
Automated Prediction of Catalytic Mechanism and Rate Law Using Graph-Based Reaction Path Sampling
作者:
Scott Habershon
刊名:Journal of Chemical Theory and Computation
出版年:20
1
6
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