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  3,297 Downloads  5,247 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  4,458 Downloads  7,551 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  4,751 Downloads  7,713 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  3,705 Downloads  6,061 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  3,911 Downloads  6,089 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  4,781 Downloads  7,496 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  4,057 Downloads  6,509 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  3,607 Downloads  5,835 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  4,826 Downloads  8,309 Views   Citations
This article belongs to the Special Issue on