Volume 3

Computational Condensed Matter

Volume 3

1

A DFT study of charge-transfer and opto-electronic properties of some new materials involving carbazole units

Hlel, A., Mabrouk, A., Chemek, M., Ben Khalifa, I., Alimi, K.

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 1.83 MB

english, 2015

2

Theoretical study of adsorption of CO gas on pristine and AsGa-doped (4, 4) armchair models of BPNTs

Rezaei-Sameti, Mahdi, Yaghoobi, Sahar

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 3.36 MB

english, 2015

3

Ab initio study of the linear and nonlinear optical properties of hexagonal CdSe

Huang, C.B., Wang, Z.Y., Wu, H.X., Ni, Y.B., Xiao, R.C., Qi, M.

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 1.75 MB

english, 2015

4

Ground state and electronic structures of the series Li2Cu1−xSxSb with (x = 0, 1/8, 2/8, 3/8, 4/8, 5/8, 6/8, 7/8, 1)

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 646 KB

english, 2015

5

First-principles calculation of structural, thermodynamic and mechanical properties of 5d transitional metal triborides TMB3 (TM=Hf–Au)

Zhang, Xiaozheng, Bai, Xiaowan, Zhao, Erjun, Wu, Zhijian, Fu, Lei, Hou, Qingyu

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 2.96 MB

english, 2015

6

Electronic structure and mechanical properties of X2MnSn (X = Cu, Ni, Pd) under hydrostatic pressure: GGA + U calculations

Hamri, B., Abbar, B., Hamri, A., Baraka, O., Hallouche, A., Zaoui, A.

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 2.04 MB

english, 2015

7

First-principles studies on K-promoted porous iron oxide catalysts

Wang, Li-Li, Zhang, Hong, Cheng, Xin-Lu

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 2.05 MB

english, 2015

8

The role of alloying element on the behaviors of helium in vanadium: Ti as an example

Hua, Juan, Liu, Yue-Lin, Li, Heng-Shuai, Zhao, Ming-Wen, Liu, Xiang-Dong

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

9

Editorial Board

Journal:

Computational Condensed Matter

Year:

2015

Language:

english

File:

PDF, 35 KB

english, 2015

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