First-Principles Calculation - Articles - Scientific Research Publishing

First Principles Calculation of Magnetic Resonance Properties of Cu_2-δX (X = Se, S, Te) (Articles)

Zhipeng Shao, Chenglong Shi

Journal of Applied Mathematics and Physics Vol.9 No.6, June 17, 2021

DOI: 10.4236/jamp.2021.96085 491 Downloads 1,668 Views Citations
Simulation of Graphene Piezoresistivity Based on Density Functional Calculations (Articles)

Mohammed Gamil, Koichi Nakamura, Ahmed M. R. Fath El-Bab, Osamu Tabata, Ahmed Abd El-Moneim

Modeling and Numerical Simulation of Material Science Vol.3 No.4, October 7, 2013

DOI: 10.4236/mnsms.2013.34016 5,279 Downloads 8,650 Views Citations
First-Principles Calculations of the Structural, Mechanical and Thermodynamics Properties of Cubic Zirconia (Articles)

Ibrahim D. Muhammad, Mokhtar Awang, Othman Mamat, Zilati Bt Shaari

World Journal of Nano Science and Engineering Vol.4 No.2, June 24, 2014

DOI: 10.4236/wjnse.2014.42013 5,306 Downloads 8,598 Views Citations
First-Principles Investigation of Energetics and Electronic Structures of Ni and Sc Co-Doped MgH₂ (Articles)

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

American Journal of Analytical Chemistry Vol.7 No.1, January 22, 2016

DOI: 10.4236/ajac.2016.71004 4,546 Downloads 6,068 Views Citations
Investigation Insights into Thermoelectric Materials of Ni-Based Heusler Alloys: First-Principles Calculations (Articles)

Zhengxu Li, Yaping Li, Sujun Guan, Lijun Wang, Taishu Chishima, Hiroyuki Yoshida, Ryosuke Yamagata, Takaomi Itoi, Yun Lu

Journal of Materials Science and Chemical Engineering Vol.14 No.6, June 23, 2026

DOI: 10.4236/msce.2026.146001 4 Downloads 35 Views Citations
First Principles DFT Study of Hydrogen Storage on Graphene with La Decoration (Articles)

Yuanyuan Li, Yiming Mi, Gaili Sun

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

DOI: 10.4236/msce.2015.312013 4,568 Downloads 7,078 Views Citations
First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube (Articles)

Wenyu Wang, Jiangang Xu, Yunguang Zhang, Guixia Li

Computational Chemistry Vol.5 No.4, October 27, 2017

DOI: 10.4236/cc.2017.54013 1,823 Downloads 4,135 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 3,977 Downloads 5,855 Views Citations
The Properties of Elasticity, Thermology, and Anisotropy in Pd-Based Alloys (Articles)

Kuankuan Chen, Meng Hu, Chunmei Li, Guannan Li, Zhiqian Chen

Journal of Materials Science and Chemical Engineering Vol.5 No.3, March 31, 2017

DOI: 10.4236/msce.2017.53002 1,662 Downloads 3,621 Views Citations
First-Principles Investigation of Charge Transfer Mechanism of B-Doped 3C-SiC Semiconductor Material (Articles)

Abdullahi Alkali Dauda, Muhammad Yusuf Onimisi, Adeyemi Joshua Owolabi, Hammed Adeneyi Lawal, Hassan Muhammad Gambo, Bashir Mohammed Aliyu, Surajo Bala, Muhammad Lamido Madugu, Muhammad Abdurrahman Nainna, Johnson Akinade Bamikole

World Journal of Condensed Matter Physics Vol.14 No.2, May 28, 2024

DOI: 10.4236/wjcmp.2024.142004 214 Downloads 801 Views Citations
Effect on Defect in N or F-Doped Ferromagnetic Zn_1-xCu_xO: First-Principles Study (Articles)

Byung-Sub Kang, Kwang-Pyo Chae, Haeng-Ki Lee

Materials Sciences and Applications Vol.5 No.14, December 4, 2014

DOI: 10.4236/msa.2014.514102 3,179 Downloads 4,338 Views Citations
This article belongs to the Special Issue on Magnetic Materials
The Structures and Properties of Y-Substituted Mg₂Ni Alloys and Their Hydrides: A First-Principles Study (Articles)

Yuanyuan Li, Gaili Sun, Yiming Mi

American Journal of Analytical Chemistry Vol.7 No.1, January 25, 2016

DOI: 10.4236/ajac.2016.71007 5,094 Downloads 7,201 Views Citations
Electronic Structures and Magnetic Properties of Co-Adsorbed Monolayer WS₂ (Articles)

Weiyun Xu

Journal of Materials Science and Chemical Engineering Vol.4 No.10, October 14, 2016

DOI: 10.4236/msce.2016.410004 1,960 Downloads 4,164 Views Citations
Elastic Stability and Multifunctional Properties of Wurtzite Aluminum Nitride from First Principles (Articles)

Mobisa Kemuma Deborah, Calford Odhiambo Otieno, Ketui Daniel, Otieno Ochieng Victor

Open Journal of Microphysics Vol.16 No.1, March 26, 2026

DOI: 10.4236/ojm.2026.161001 54 Downloads 361 Views Citations
Starting Point of Cluster-Derived Silicon Nanowires (Articles)

Aijiang Lu

Journal of Modern Physics Vol.4 No.4, April 24, 2013

DOI: 10.4236/jmp.2013.44071 5,660 Downloads 7,981 Views Citations
Computational Model of Successful Mobilization of Voluntary Firefighters (Articles)

Joze Srekl

Open Journal of Safety Science and Technology Vol.4 No.1, March 11, 2014

DOI: 10.4236/ojsst.2014.41006 2,739 Downloads 4,334 Views Citations
Geodetic Datum Transformation Parameters towards WGS84 Applicable to the 1/50k Topographical Map (1981) of Burundi (Articles)

Johan Lavreau

International Journal of Geosciences Vol.7 No.5, May 17, 2016

DOI: 10.4236/ijg.2016.75048 3,114 Downloads 4,906 Views Citations
This article belongs to the Special Issue on Surveying, Mapping and Geodesy
Analytical Calculation of the Energy in a Permanent Magnet (Articles)

Jean-Paul Yonnet, Christian Chillet, Hicham Allag, Lotfi Chouikhi

Journal of Modern Physics Vol.7 No.16, December 5, 2016

DOI: 10.4236/jmp.2016.716196 1,893 Downloads 4,643 Views Citations
This article belongs to the Special Issue on Magnetic Field and Magnetic Theory Research
What Physicians Know about Statistics in Saudi Arabia (Articles)

Hella O. Alothman, Emad Masuadi, Tariq Alothman, Samiah Almehmadi, Mohammed H. Alenazi, Raghad Alothman, Mazen S. Ferwana

Open Journal of Social Sciences Vol.8 No.1, January 17, 2020

DOI: 10.4236/jss.2020.81021 1,474 Downloads 2,678 Views Citations
Wavelet Entropy Based Algorithm for Fault Detection and Classification in FACTS Compensated Transmission Line (Articles)

Amany M. El-Zonkoly, Hussein Desouki

Energy and Power Engineering Vol.3 No.1, February 25, 2011

DOI: 10.4236/epe.2011.31006 6,723 Downloads 12,954 Views Citations

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