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 517 Downloads 1,717 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 5,303 Downloads 8,691 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 5,319 Downloads 8,648 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 4,561 Downloads 6,102 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 15 Downloads 101 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 5,691 Downloads 8,023 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 4,590 Downloads 7,133 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 1,845 Downloads 4,203 Views Citations
Towards building consensus: Revisiting key principles of CBPR within the First Nations/Aboriginal context (Articles)

Pammla Petrucka, Sandra Bassendowski, Deanna Bickford, Elder Velma Goodfeather

Open Journal of Nursing Vol.2 No.2, June 29, 2012

DOI: 10.4236/ojn.2012.22022 4,935 Downloads 9,160 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 3,995 Downloads 5,910 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 1,674 Downloads 3,649 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 230 Downloads 841 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 3,197 Downloads 4,377 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 5,115 Downloads 7,254 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 1,974 Downloads 4,206 Views Citations
First Principle Study on the Electric Structure of β-FeSi₂ with Native Point Defects (Articles)

L.P. Peng, A.L. He

Modeling and Numerical Simulation of Material Science Vol.3 No.1B, January 21, 2013

DOI: 10.4236/mnsms.2013.31B004 3,200 Downloads 5,562 Views Citations
The Confirmed Validity of the Explanatory Aspect of the Thermohydrogravidynamic Theory Concerning the Evaluated Maximal Magnitude of the Strongest Earthquake of the Earth near the Predicted Date 2021.1 AD during the Range from October 27, 2020 to May 17, 2021 AD (Articles)

Sergey V. Simonenko

Journal of Geoscience and Environment Protection Vol.10 No.7, July 29, 2022

DOI: 10.4236/gep.2022.107019 206 Downloads 844 Views Citations
The Validity of the Thermohydrogravidynamic Theory Concerning the Predicted Dates of the Maximal Temporal Intensifications of the Global Seismotectonic Processes of the Earth during the Range 2020 - 2023 AD (Articles)

Sergey V. Simonenko

Journal of Geoscience and Environment Protection Vol.11 No.7, July 31, 2023

DOI: 10.4236/gep.2023.117017 180 Downloads 784 Views Citations
The Cosmic Energy Gravitational Genesis of the Strongest Temporal Intensifications of the Global and Chinese Seismotectonic Processes (Articles)

Sergey V. Simonenko

Journal of Geoscience and Environment Protection Vol.12 No.6, June 28, 2024

DOI: 10.4236/gep.2024.126021 109 Downloads 582 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 63 Downloads 409 Views Citations

First <12 3 ...>Last

	[email protected]
	+86 18163351462 (WhatsApp)
	1655362766
	SCIRP WeChat

All	Title	Abstract	Keywords
DOI	Author	Journal	Affiliation
ISSN	Subject

	[email protected]
	+86 18163351462(WhatsApp)
	1655362766

	Paper Publishing WeChat

Browse Subjects

Publish with us

Home

About SCIRP

Service

Policies