Density-Functional Theory; Electronic Structure; Optical Properties; Rocksalt CdO - Articles

Distance-dependent coherent charge transport in DNA: crossover from tunneling to free propagation (Articles)

Natallia V. Grib, Dmitry A. Ryndyk, Rafael Gutiérrez, Gianaurelio Cuniberti

Journal of Biophysical Chemistry Vol.1 No.2, September 7, 2010

DOI: 10.4236/jbpc.2010.12010 6,378 Downloads 12,197 Views Citations
Electronic Structure of Sodium Thiogermanate (Articles)

Dmytro Ivanovych Bletskan, Vasyl Vasyliovych Vakulchak, Vasyl Mykolaiovych Kabatsii

Open Journal of Inorganic Non-metallic Materials Vol.5 No.2, March 11, 2015

DOI: 10.4236/ojinm.2015.52004 4,630 Downloads 6,312 Views Citations
First-Principles Investigation of the Effect of M-Doped (M = Zr, Hf) TiCoSb Half-Heusler Thermoelectric Material (Articles)

Gaili Sun, Yuanyuan Li, Xinxin Zhao, Yiming Mi, Lili Wang

Journal of Materials Science and Chemical Engineering Vol.3 No.12, December 29, 2015

DOI: 10.4236/msce.2015.312012 3,974 Downloads 5,833 Views Citations
The Zinc Story under High Pressure (Articles)

Kenichi Takemura

Journal of Minerals and Materials Characterization and Engineering Vol.7 No.5, September 25, 2019

DOI: 10.4236/jmmce.2019.75024 914 Downloads 3,516 Views Citations
Comparative Theoretical Studies of the Reactivity and Stability of Selected Groups of Isomers with Carbon-Oxygen and Carbon-Nitrogen Bonds (Articles)

Issofa Patouossa, Eric N. Njabon, Alphonse Emadak, Naomi Zshika

Computational Chemistry Vol.9 No.2, April 30, 2021

DOI: 10.4236/cc.2021.92007 589 Downloads 1,696 Views Citations
Vibrational, Electronic and Structural Study of Sprayed ZnO Thin Film Based on the IR-Raman Spectra and DFT Calculations (Articles)

Bechir Ouni, Tarek Larbi, Mosbah Amlouk

Crystal Structure Theory and Applications Vol.11 No.2, May 31, 2022

DOI: 10.4236/csta.2022.112002 445 Downloads 2,142 Views Citations
Nucleation of New Phases in Alloy: A Long Way to True (Articles)

Yuri Ustinovshikov

Advances in Materials Physics and Chemistry Vol.12 No.10, October 28, 2022

DOI: 10.4236/ampc.2022.1210017 258 Downloads 1,024 Views Citations
Tunable Multichannel Quantum Routing of Single Photons Based on Single-Mode Microresonators (Articles)

Jinsong Huang, Jinglan Hu, Hongwu Huang

Journal of Modern Physics Vol.15 No.4, March 28, 2024

DOI: 10.4236/jmp.2024.154023 193 Downloads 687 Views Citations
Physical Properties Study of Zn_0.5Mn_0.5−xLi_2xFe₂O₄ Nanoparticle Series that Prepared by Co-Precipitation Method (Articles)

N. A. Elthair, Yousef A. Alsabah, Eltayeb M. Mustafa, Abdelrahman A. Elbadawi, Abdal Sakhi Suliman, Ali A. S. Marouf

Journal of Materials Science and Chemical Engineering Vol.7 No.11, November 19, 2019

DOI: 10.4236/msce.2019.711002 578 Downloads 1,750 Views Citations
Density functional theory studies on the structure, vibrational spectra of three new tetrahalogenoferrate (III) complexes (Articles)

Shahriare Ghammamy, Kheyrollah Mehrani, Somayyeh Rostamzadehmansor, Hajar Sahebalzamani

Natural Science Vol.3 No.8, August 3, 2011

DOI: 10.4236/ns.2011.38091 5,687 Downloads 11,418 Views Citations
Effect of Hydrogen in Adsorption and Direct Dissociation of CO on Fe (100) Surface: A DFT Study (Articles)

Sebastián Amaya-Roncancio, Daniel Humberto Linares, Hélio Anderson Duarte, Germán Lener, Karim Sapag

American Journal of Analytical Chemistry Vol.6 No.1, January 9, 2015

DOI: 10.4236/ajac.2015.61004 4,246 Downloads 6,123 Views Citations
This article belongs to the Special Issue on Adsorption Science and Technology
Development of the Orbital-Free Density Functional Approach: The Problem of Angles between Covalent Bonds (Articles)

Victor G. Zavodinsky, Olga A. Gorkusha

Modeling and Numerical Simulation of Material Science Vol.6 No.2, March 28, 2016

DOI: 10.4236/mnsms.2016.62002 2,683 Downloads 3,897 Views Citations
Synthesis and Evaluation of Corrosion Inhibiting Activity of New Molecular Hybrids Containing the Morpholine, 1,4-Naphthoquinone, 7-Chloroquinoline and 1,3,5-Triazine Cores (Articles)

Regina Westphal, Jorge Welton de Souza Pina, Juliana Panceri Franco, Josimar Ribeiro, Maicon Delarmelina, Rodolfo Goetze Fiorot, José Walkimar de Mesquita Carneiro, Sandro José Greco

Advances in Chemical Engineering and Science Vol.10 No.4, September 22, 2020

DOI: 10.4236/aces.2020.104024 859 Downloads 2,788 Views Citations
On the Mechanism of CDOs behind the Current Financial Crisis and Mathematical Modeling with Levy Distributions (Articles)

H.W. Du, J.L. Wu, W. Yang

Intelligent Information Management Vol.2 No.2, March 16, 2010

DOI: 10.4236/iim.2010.22018 6,187 Downloads 11,983 Views Citations
Preparation and properties of cast polyurethane elastomers with molecularly uniform hard segments based on 2,4-toluene diisocyanate and 3,5-dimethyl-thioltoluenediamine (Articles)

Xiao-Dong Chen, Nan-Qiao Zhou, Hai Zhang

Journal of Biomedical Science and Engineering Vol.2 No.4, August 17, 2009

DOI: 10.4236/jbise.2009.24038 13,897 Downloads 24,233 Views Citations
Elaboration and Characterization of Mullite Refractory Products from Moroccan Andalusite (Articles)

Mostafa Sardy, Abdelhak Arib, Kacem El Abbassi, Moussa Gomina

New Journal of Glass and Ceramics Vol.2 No.3, July 30, 2012

DOI: 10.4236/njgc.2012.23017 4,899 Downloads 8,863 Views Citations
Optoelectronic Properties of GaN-Based Light-Emitting Diodes with Different Mesa Structures (Articles)

Xueyun Song, Xianghua Zeng, Junbin Zhang, Yuzhe Jin, Xiangdong Meng

Materials Sciences and Applications Vol.3 No.12, December 13, 2012

DOI: 10.4236/msa.2012.312122 4,476 Downloads 7,362 Views Citations
Cellular Porous Brick—A Novel Permeable Pavement Strategy (Articles)

Shiguang Chen, Yu Zhang, Liangyang Qiu, Xiaobing Xu, Didong Lin, Lin Chen, Jinchi Lin, Hengwei He

Natural Resources Vol.11 No.12, December 7, 2020

DOI: 10.4236/nr.2020.1112032 568 Downloads 1,539 Views Citations
Effect of SrO on the Structure of Apatite and Wollastonite Phases of Na₂O-CaO-SiO₂-P₂O₅ Glass System (Articles)

Gomaa El Damrawi, Rawya Mhammed Ramadan, Mohamed El Baiomy

New Journal of Glass and Ceramics Vol.11 No.2, April 30, 2021

DOI: 10.4236/njgc.2021.112003 503 Downloads 1,589 Views Citations
Effect of anneal temperature on electrical and optical properties of SnS:Ag thin films (Articles)

Hong-Jie Jia, Shu-Ying Cheng, Xin-Kun Wu, Yong-Li Yang

Natural Science Vol.2 No.3, April 12, 2010

DOI: 10.4236/ns.2010.23030 6,979 Downloads 13,919 Views Citations

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