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    3,639 Downloads  5,799 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    4,807 Downloads  8,171 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    5,040 Downloads  8,162 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    4,461 Downloads  7,442 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    4,361 Downloads  6,896 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    5,710 Downloads  8,940 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    5,092 Downloads  8,118 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    3,980 Downloads  6,404 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    5,355 Downloads  9,287 Views   Citations
  This article belongs to the Special Issue on