周 建斌

次席研究員(研究院講師)

  • 243 引用
  • 9 h指数
20072019
Pureに変更を加えた場合、すぐここに表示されます。

研究成果 2007 2019

  • 243 引用
  • 9 h指数
  • 20 Article
  • 1 Chapter
  • 1 Conference contribution
  • 1 Letter
フィルター
Article
2019
2 引用 (Scopus)
公開
Fluorine
Metals
Sodium
Electrodes
Electrolytes

Sodium- and Potassium-Hydrate Melts Containing Asymmetric Imide Anions for High-Voltage Aqueous Batteries

Zheng, Q., Miura, S., Miyazaki, K., Ko, S., Watanabe, E., Okoshi, M., Chou, C. P., Nishimura, Y., Nakai, H., Kamiya, T., Honda, T., Akikusa, J., Yamada, Y. & Yamada, A., 2019 1 1, (Accepted/In press) : : Angewandte Chemie - International Edition.

研究成果: Article

Imides
Hydrates
Anions
Potassium
Negative ions
2018
4 引用 (Scopus)
Ice
Molecular dynamics
Protons
ice
molecular dynamics
Ions
Research
Molecular Dynamics Simulation
Parameterization
Computational efficiency
9 引用 (Scopus)
Electrolytes
electric batteries
Sodium
sodium
electrolytes
3 引用 (Scopus)
Vibrational spectra
Polyacetylenes
oligomers
Oligomers
vibrational spectra
2017
5 引用 (Scopus)

Zhang-Zhang polynomials of regular 5-tier benzenoid strips

Witek, H. A., Langner, J., Moś, G. & Chou, C. P., 2017, : : Match. 78, 2, p. 487-504 18 p.

研究成果: Article

Strip
Polynomials
Polynomial
Closed-form
Covering
2016
21 引用 (Scopus)

Automatized Parameterization of DFTB Using Particle Swarm Optimization

Chou, C. P., Nishimura, Y., Fan, C. C., Mazur, G., Irle, S. & Witek, H. A., 2016 1 12, : : Journal of Chemical Theory and Computation. 12, 1, p. 53-64 12 p.

研究成果: Article

Parameterization
parameterization
Particle swarm optimization (PSO)
optimization
methodology
7 引用 (Scopus)

Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals

Witek, H. A., Chou, C. P., Mazur, G., Nishimura, Y., Irle, S., Aradi, B., Frauenheim, T. & Morokuma, K., 2016 1 1, : : Journal of the Chinese Chemical Society. 63, 1, p. 57-68 12 p.

研究成果: Article

Parameterization
Discrete Fourier transforms
Band structure
2015
6 引用 (Scopus)

Two examples for the application of the ZZDecomposer: Zigzag-edge coronoids and fenestrenes

Chou, C. P. & Witek, H. A., 2015, : : Match. 73, 2, p. 421-426 6 p.

研究成果: Article

Zigzag
Figure
Polynomials
Polynomial
Class
6 引用 (Scopus)

Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips

Witek, H. A., Mos̈, G. & Chou, C. P., 2015, : : Match. 73, 2, p. 427-442 16 p.

研究成果: Article

Strip
Polynomials
Polynomial
Closed-form
Partition
2014
17 引用 (Scopus)
Closed-form
Polynomials
Polynomial
Parallelogram
Fragment
7 引用 (Scopus)
Rectangle
Closed-form
Polynomials
Polynomial
Parallelogram
14 引用 (Scopus)
Zigzag
Polynomials
Polynomial
Tripod
Graph Decomposition
14 引用 (Scopus)
Formal Proof
Polynomials
Decomposition
Polynomial
Linux
2013
34 引用 (Scopus)

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra

Page, A. J., Chou, C. P., Pham, B. Q., Witek, H. A., Irle, S. & Morokuma, K., 2013 3 21, : : Physical Chemistry Chemical Physics. 15, 11, p. 3725-3735 11 p.

研究成果: Article

Graphite
epoxy compounds
Epoxy Compounds
Vibrational spectra
Ether
2012
19 引用 (Scopus)
D.3.2 [Programming Languages]: Language Classifications - Fortran
FORTRAN (programming language)
Polynomials
Polynomial
Atoms
18 引用 (Scopus)

Zhang-Zhang polynomials of various classes of benzenoid systems

Chou, C. P., Li, Y. & Witek, H. A., 2012, : : Match. 68, 1, p. 31-64 34 p.

研究成果: Article

Polynomials
Polynomial
Closed-form
Phosmet
Structural Similarity
2009
45 引用 (Scopus)

Automatized parametrization of SCC-DFTB repulsive potentials: Application to hydrocarbons

Gaus, M., Chou, C. P., Witek, H. & Elstner, M., 2009 10 29, : : Journal of Physical Chemistry A. 113, 43, p. 11866-11881 16 p.

研究成果: Article

Hydrocarbons
Charge density
hydrocarbons
heat of formation
Vibrational spectra
2007
Rate constants
Parallel processing systems
Molecular structure
Gases
Costs