DFT Study of Carbon Crystals from Nested K4 Lattice to BC-8 Structure.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 526, doi. 10.1002/jccs.201500376
- By:
- Publication type:
- Article
Works matching IS 00094536 AND DT 2016 AND VI 63 AND IP 6
Results: 17
1
2
First Principles Calculations of Structural and Elastic Properties of Perovskite Crystals: The Case of SrTiO<sub>3</sub>.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 521, doi. 10.1002/jccs.201500377
- By:
- Publication type:
- Article
3
Theoretical Study on Electronic Structure of Bathocuproine: Renormalization of the Band Gap in the Crystalline State and the Large Exciton Binding Energy.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 513, doi. 10.1002/jccs.201500379
- By:
- Publication type:
- Article
4
Will (CH<sub>3</sub>)<sub>2</sub>COO Survive in Humid Conditions?
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 472, doi. 10.1002/jccs.201500518
- By:
- Publication type:
- Article
5
Density Functional Theory Calculation on the Dissociation Mechanism of Nitric Oxide Catalyzed by Cu<sub>4</sub> Cluster in ZSM-5 (Cu<sub>4</sub>-ZSM-5) and Bimetal Cu<sub>3</sub>Fe in ZSM-5 (Cu<sub>3</sub>Fe-ZSM-5).
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 499, doi. 10.1002/jccs.201500318
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- Publication type:
- Article
6
The Spectroscopic Features of Ionized Water Medium: Theoretical Characterization and Implication Using (H<sub>2</sub>O)<sub>n</sub><sup>+</sup>, n=3-4, Cluster Model.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 488, doi. 10.1002/jccs.201600030
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- Publication type:
- Article
7
Cover Picture: Journal of the Chinese Chemical Society 6/2016.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. n/a, doi. 10.1002/jccs.201680301
- Publication type:
- Article
8
First-principles Study of Stability of Cu in the Nd-rich and Nd Oxide Phases of Nd-Fe-B Permanent Magnet.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 506, doi. 10.1002/jccs.201500393
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- Publication type:
- Article
9
CO<sub>2</sub> Capture in Aluminum-Based Metal-organic Frameworks: A Theoretical Study.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 459, doi. 10.1002/jccs.201500468
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- Publication type:
- Article
10
Theoretical Characterizations on Charge Transfer Excitations in Solution by Time-Dependent Density Functional Theory A Case Study.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 465, doi. 10.1002/jccs.201600085
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- Publication type:
- Article
11
Theoretical Study of the Reductive Decomposition of Vinylethylene Sulfite as an Additive in Lithium Ion Battery.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 480, doi. 10.1002/jccs.201600076
- By:
- Publication type:
- Article
12
Preview: Journal of the Chinese Chemical Society 6/2016.
- Published in:
- 2016
- Publication type:
- Other
13
Contents: Journal of the Chinese Chemical Society 6/2016.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 453, doi. 10.1002/jccs.201680611
- Publication type:
- Article
14
Hybrid Functional Calculation of Defects in Pseudo-binary Indium Oxynitride.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 539, doi. 10.1002/jccs.201500356
- By:
- Publication type:
- Article
15
Numerical Study of the Aerodynamic Response and Energy Harvesting of Polyvinylidene Fluoride Piezoelectric Flags in a Uniform Flow.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 545, doi. 10.1002/jccs.201500308
- By:
- Publication type:
- Article
16
Stability Study of Ring-like Sheet of Ag Atoms Wrapping a CNT.
- Published in:
- Journal of the Chinese Chemical Society, 2016, v. 63, n. 6, p. 533, doi. 10.1002/jccs.201500375
- By:
- Publication type:
- Article
17
Guest Editorial: Journal of the Chinese Chemical Society 6/2016.
- Published in:
- 2016
- By:
- Publication type:
- Editorial