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Journal of Modern Physics is an international journal dedicated to the latest advancements in modern physics. The goal of this journal is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in different areas of modern physics. All…
Xuewen Wang, Yuzhou Jing, Xinkang Zhu, Chan Liu, Jiangni Yun, Zhiyong Zhang
By making use of the density functional theory (DFT) of the first principles and generalized gradient approximation method , the electronic structures and properties of ideal GaN and Al x Ga 1- x N crystals ( x = 0.25, 0.5, 0.75) have been calculated and anal…
Eisuke Shimizu, Ryota Hoshino, Kazuya Nomura, Victor I. Danilov, Noriyuki Kurita
In order to elucidate the indirect effect by radiation on DNA base pairs, we investigate the mechanism for the attacking reaction of a hydroxyl radical ( · OH-radical) to the G-C and A-T base pairs, by the density functional theory (DFT) calculations. The eff…
Andrew Kuznetsov
Ruffle magnetic landscape of transition metals (TM) is a trouble of material science that makes it hard to predict properties of nanomagnets [1,2]. It is not quite clear, whether jumps in magnetic activity is the intrinsic property of TM complexes or a contro…
Amall Ahmed Ramanathan
First principle calculations are performed using the super cell method with pseudopotentials and plane waves based on the Density Functional Theory (DFT) for the surface structural properties at T = 0 K . Thin slabs of 7 - 13 atomic layers of the clean Nb and…
Kazuya Nomura, Ryota Hoshino, Eisuke Shimizu, Yasuhiro Hoshiba, Victor I. Danilov, Noriyuki Kurita
To elucidate the reaction mechanism from wobble Guanine-Thymine (wG-T) to tautomeric G-T base-pairs, we investigate its transition state (TS) by density functional theory (DFT) calculations, in vacuum and in water approximated by continuum solvation model. Fr…
Andrew Kuznetsov
The attempt to study magnetism in ( n,m ) chiral space of single-walled carbon nanotubes (SWNTs) with embedded me tal cluster is presented. Co 13 metallic cluster inside zigzag and chiral single-walled nanotubes was investigated using density functional theor…
M. N’dollo, P. S. Moussounda, T. Dintzer, F. Garin
The adsorption of CH 3 O and H on the (100) facet of gold was studied using self-consistent periodic density functional theory (DFT-GGA) calculations. The best binding site, energy, and structural parameter, as well as the local density of states, of each spe…
Remi Geiger, Sabine H. L. Klapp
Using classical density functional theory (DFT) in a modified mean-field approximation we investigate the fluid phase behavior of quasi-two dimensional dipolar fluids confined to a plane. The particles carry three-dimensional dipole moments and interact via a…
Eduardo V. Ludeña, F. Javier Torres, Cesar Costa
The N -representability conditions on the reduced second-order reduced density matrix ( 2-RDM ) , impose restrictions not only in the context of reduced density matrix theory ( RDMT ) , but also on functionals advanced in one-matrix theory such as natural orb…
Yukio Tomozawa
The author has suggested that the knee phenomenon in the cosmic ray energy spectrum at 3 PeV can be explained as a split between a radiation-dominated expansion and a matter-dominated expansion of an expanding heat bath. The model proposed in 1985, in fact, p…
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Journal of Modern Physics is an international journal dedicated to the latest advancements in modern physics. The goal of this journal is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in different areas of modern physics. All… All articles are open access under a CC BY 4.0 licence, with authors retaining copyright.
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