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在“
ACS电子期刊
”中,
命中:
654
条,耗时:0.010027 秒
在所有数据库中总计命中:
11,046
条
1.
Importance of Triples Contributions to NMR Spin–Spin Coupling Constants Computed at the CC3 and CCSDT
Level
s
作者:
Rasmus FaberStephan P. A. Sauer
;
Jürgen Gauss
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
The Role of Low-Coordinated Sites on the Adsorption of Glycerol on Defected Ptn/Pt(111) Substrates: A Density Functional Investigation within the D3 van der Waals
Correction
作者:
Rafael C. Amaral
;
Polina Tereshchuk
;
Yohanna Seminovski
;
Juarez L. F. Da Silva
刊名:Journal of Physical Chemistry C
出版年:2017
3.
Hamiltonian Matrix
Correction
Based Density Functional Valence Bond Method
作者:
Chen Zhou
;
Yang Zhang
;
Xiping Gong
;
Fuming Ying
;
Peifeng SuWei Wu
刊名:Journal of Chemical Theory and Computation
出版年:2017
4.
High-
Level
ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n = 1 and 2)
作者:
Yi Pan
;
Zhihong Luo
;
Yih-Chung Chang
;
Kai-Chung LauC. Y. Ng
刊名:Journal of Physical Chemistry A
出版年:2017
5.
Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-
Level
Methodologies
作者:
Daniely V. V. Cardoso
;
Leonardo A. Cunha
;
Rene F. K. Spada
;
Corey A. Petty
;
Luiz F. A. FerrãoOrlando Roberto-Neto
;
Francisco B. C. Machado
刊名:Journal of Physical Chemistry A
出版年:2017
6.
Label-Free Electrochemical Biosensor for Monitoring of Chloride Ion in an Animal Model of Alzhemier’s Disease
作者:
Hui Dong
;
Limin ZhangWei Liu
;
Yang Tian
刊名:ACS Chemical Neuroscience
出版年:2017
7.
Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different
Level
s of Quantum Theory
作者:
Dmitry I. Sharapa
;
Johannes T. Margraf
;
Andreas Hesselmann
;
Timothy Clark
刊名:Journal of Chemical Theory and Computation
出版年:2017
8.
A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies
作者:
Christopher Cave-Ayland
;
Chris-Kriton Skylaris
;
Jonathan W. Essex
刊名:Journal of Chemical Theory and Computation
出版年:2017
9.
Direct Measurement of Trafficking of the Cystic Fibrosis Transmembrane Conductance Regulator to the Cell Surface and Binding to a Chemical Chaperone
作者:
Zhihui Zhang
;
Michael M. Baksh
;
M. G. FinnDavid K. Heidary
;
Christopher I. Richards
刊名:Biochemistry
出版年:2017
10.
Visualization, Quantification, and Alignment of Spectral Drift in Population Scale Untargeted Metabolomics Data
作者:
Jeramie D. WatrousMir Henglin
;
Brian Claggett
;
Kim A. Lehmann
;
Martin G. Larson
;
Susan Cheng
;
Mohit Jain
刊名:Analytical Chemistry
出版年:2017
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