Volume 4, Number 3A, March 2013 (Special Issue on Density Functional Theory)

Cover Page, Table of Contents and Others: PDF (size: 8435KB)

• Theoretical Study on the Optical and Electrical Properties of Al_xGa_1-xN Crystals ()
  Xuewen Wang, Yuzhou Jing, Xinkang Zhu, Chan Liu, Jiangni Yun, Zhiyong Zhang
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A063    3,730 Downloads  6,002 Views   Citations
  This article belongs to the Special Issue on
• DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical ()
  Eisuke Shimizu, Ryota Hoshino, Kazuya Nomura, Victor I. Danilov, Noriyuki Kurita
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A062    4,969 Downloads  8,589 Views   Citations
  This article belongs to the Special Issue on
• Stair Magnetism: Distinct Magnetic States of Co₅C₅ Carbide Isomers ()
  Andrew Kuznetsov
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A061    5,093 Downloads  8,293 Views   Citations
  This article belongs to the Special Issue on
• A DFT Calculation of Nb and Ta (001) Surface Properties ()
  Amall Ahmed Ramanathan
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A060    4,773 Downloads  8,229 Views   Citations
  This article belongs to the Special Issue on
• DFT Calculations on the Effect of Solvation on the Tautomeric Reactions for Wobble Gua-Thy and Canonical Gua-Cyt Base-Pairs ()
  Kazuya Nomura, Ryota Hoshino, Eisuke Shimizu, Yasuhiro Hoshiba, Victor I. Danilov, Noriyuki Kurita
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A059    4,490 Downloads  7,181 Views   Citations
  This article belongs to the Special Issue on
• Magnetism of Co₁₃-Filled Carbon Nanotubes of Diverse Chiral Symmetry ()
  Andrew Kuznetsov
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A058    6,034 Downloads  9,626 Views   Citations
  This article belongs to the Special Issue on
• A Density Functional Theory Study of Methoxy and Atomic Hydrogen Chemisorption on Au(100) Surface ()
  M. N’dollo, P. S. Moussounda, T. Dintzer, F. Garin
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A057    5,404 Downloads  8,855 Views   Citations
  This article belongs to the Special Issue on
• Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study ()
  Remi Geiger, Sabine H. L. Klapp
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A056    4,074 Downloads  6,621 Views   Citations
  This article belongs to the Special Issue on
• Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories ()
  Eduardo V. Ludeña, F. Javier Torres, Cesar Costa
  Journal of Modern Physics Vol.4 No.3A,  March 29, 2013
  DOI: 10.4236/jmp.2013.43A055    5,545 Downloads  9,820 Views   Citations
  This article belongs to the Special Issue on