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    3,827 Downloads  6,225 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    5,086 Downloads  8,784 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    5,204 Downloads  8,522 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    5,095 Downloads  8,423 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    4,655 Downloads  7,465 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    6,349 Downloads  9,584 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    5,662 Downloads  8,773 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    4,209 Downloads  6,855 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    5,786 Downloads  10,061 Views   Citations
  This article belongs to the Special Issue on