1. Theoretical modeling and simulation of nanostructures

   Editorial 30 May 2009 Pages: 255 - 255

2. Exploring at nanoscale from first principles

   • Qiang Fu
   • Lan-feng Yuan
   • Jin-long Yang

   Review Article 30 May 2009 Pages: 256 - 268

3. Towards graphene nanoribbon-based electronics

   • Bing Huang
   • Qi-min Yan
   • Wen-hui Duan

   Review Article 30 May 2009 Pages: 269 - 279

4. Structural and vibrational properties of deformed carbon nanotubes

   • Xiao-ping Yang
   • Gang Wu
   • Jin-ming Dong

   Review Article Open access 30 May 2009 Pages: 280 - 296

5. Studies on structural defects in carbon nanotubes

   • Hai-yan He
   • Bi-cai Pan

   Review Article 30 May 2009 Pages: 297 - 306

6. Simulation of electronic structure of nanomaterials by central insertion scheme

   • Bin Gao
   • Jun Jiang
   • Yi Luo

   Review Article 30 May 2009 Pages: 307 - 314

7. Single-electron tunneling and Coulomb blockade in carbon-based quantum dots

   • Wei Fan
   • Rui-qin Zhang

   Review Article 30 May 2009 Pages: 315 - 326

8. The first-principles calculation of molecular conduction

   • Hao Chen

   Review Article 30 May 2009 Pages: 327 - 336

9. Density functional theory study of surface catalysis and adsorption on several elements in Group I-B and VIII

   • Wang Gao
   • Qing Jiang

   Review Article 30 May 2009 Pages: 337 - 355

10. Hydrogen adsorption and desorption on the Pt and Pd subnano clusters — a review

    • Liang Chen
    • Cheng-gang Zhou
    • Han-song Cheng

    Review Article 30 May 2009 Pages: 356 - 366

11. Chemically decorated boron-nitride nanoribbons

    • Xiao-jun Wu
    • Men-hao Wu
    • Xiao Cheng Zeng

    Research Article 30 May 2009 Pages: 367 - 372

12. Chiral selective tunneling induced graphene nanoribbon switch

    • Qin-wei Shi
    • Zheng-fei Wang
    • Jin-long Yang

    Research Article 30 May 2009 Pages: 373 - 377

13. Functionalization of BN nanotubes with free radicals: electroaffinity-independent configuration and band structure engineering

    • Zhen-yu Yang
    • Ya-fei Li
    • Zhen Zhou

    Research Article 30 May 2009 Pages: 378 - 382

14. Electronic properties of boron nanotubes with axial strain

    • Yi Ding
    • Jun Ni

    Research Article 30 May 2009 Pages: 383 - 388

15. Molecular dynamics studies on the thermal conductivity of single-walled carbon nanotubes

    • Zhi-xin Guo
    • Xin-gao Gong

    Research Article 30 May 2009 Pages: 389 - 392

16. Sidewall fluorination and hydrogenation of single-walled carbon nanotubes: a density functional theory study

    • Li-mei Yu
    • Ji-jun Zhao
    • Hai Wang

    Research Article 30 May 2009 Pages: 393 - 397

17. First-principles calculation on the conductance of ruthenium-quasi cumulene-ruthenium molecular junctions

    • Jing Ning
    • Xin Shen
    • Shi-min Hou

    Research Article 30 May 2009 Pages: 398 - 402

18. A first-principles study on the electronic structure of one-dimensional [TM(Bz)]_∞ polymer (TM= Y, Zr, Nb, Mo, and Tc)

    • Fang Wu
    • Richard Tjornhammar
    • Zhen-yu Li

    Research Article 30 May 2009 Pages: 403 - 407

19. Structural and magnetic properties of bimetallic Co _{n − 1}Cr clusters with density functional theory

    • Nai-feng Shen
    • Yan-biao Wang
    • Jin-lan Wang

    Research Article 30 May 2009 Pages: 408 - 414

20. Simulations of inelastic electron tunneling spectroscopy of semifluorinated hexadecanethiol junctions

    • Chuan-kui Wang
    • Bin Zou
    • Li-li Lin

    Research Article 30 May 2009 Pages: 415 - 419

21. Thermal transport associated with ballistic phonons in asymmetric quantum structures

    • Zong-liang Liu
    • Xiao-yan Yu
    • Ke-qiu Chen

    Research Article 30 May 2009 Pages: 420 - 425