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  3,546 Downloads  5,584 Views   Citations
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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  4,684 Downloads  7,894 Views   Citations
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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  4,956 Downloads  8,015 Views   Citations
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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  4,150 Downloads  6,682 Views   Citations
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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  4,198 Downloads  6,507 Views   Citations
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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  5,298 Downloads  8,130 Views   Citations
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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  4,687 Downloads  7,308 Views   Citations
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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  3,862 Downloads  6,185 Views   Citations
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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  5,145 Downloads  8,753 Views   Citations
This article belongs to the Special Issue on