## Abstract Attaching electron‐withdrawing substituent to organic conjugated molecules is considered as an effective method to produce n‐type and ambipolar transport materials. In this work, we use density functional theory calculations to investigate the electron and hole transport properties of p
✦ LIBER ✦
Density Functional Theory Study on Electronic Property of Cluster NixFe and NiFex (x=1–5)
✍ Scribed by Zhi-Gang Fang; Hong-Zhi Hu; Jing-Xue Guo
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 66 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0256-7660
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Density functional theory study on elect
✍
Shuo Chai; Shu-Hao Wen; Jin-Dou Huang; Ke-Li Han
📂
Article
📅
2011
🏛
John Wiley and Sons
🌐
English
⚖ 576 KB
Density Functional Theory Study of the S
✍
Qi Ying Xia; He Ming Xiao; Xue Hai Ju; Xue Dong Gong
📂
Article
📅
2004
🏛
John Wiley and Sons
⚖ 50 KB
👁 2 views
A Density Functional Theory Study on Ele
✍
Sa Rong-Jian; Wu Ke-Chen; Lin Chen-Sheng; Liu Ping; Mang Chao-Yong
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 371 KB
👁 1 views
Combined Experimental and Density Functi
✍
Sheng-Qing Xia; Chad Myers; Svilen Bobev
📂
Article
📅
2008
🏛
John Wiley and Sons
🌐
English
⚖ 509 KB
ChemInform Abstract: Combined Experiment
✍
Sheng-Qing Xia; Chad Myers; Svilen Bobev
📂
Article
📅
2008
🏛
John Wiley and Sons
⚖ 20 KB
👁 1 views
Time-dependent density functional theory
✍
Rui Wang; Ce Hao; Peng Li; Ning-Ning Wei; Jingwen Chen; Jieshan Qiu
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 502 KB
## Abstract The time‐dependent density functional theory (TDDFT) method has been carried out to investigate the excited‐state hydrogen‐bonding dynamics of 4‐aminophthalimide (4AP) in hydrogen‐donating water solvent. The infrared spectra of the hydrogen‐bonded solute−solvent complexes in electronica