Coupled Cluster; Electronic Structure; Excited States - Articles

Electronic and Optical Properties of Rocksalt CdO: A first-Principles Density-Functional Theory Study (Articles)

Gang Yao, Xinyou An, Hongwen Lei, Yajun Fu, Weidong Wu

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

DOI: 10.4236/mnsms.2013.31B005 4,576 Downloads 8,359 Views Citations
Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO₃ Rhombohedral Perovskite (Articles)

Abdelkader Boudali, Fatiha Saadaoui, Mostefa Zemouli, Mohamed Driss Khodja, Kadda Amara

Advances in Materials Physics and Chemistry Vol.3 No.2，June 5, 2013

DOI: 10.4236/ampc.2013.32020 5,184 Downloads 8,698 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 3,818 Downloads 5,274 Views Citations
The Zinc Story under High Pressure (Articles)

Kenichi Takemura

J. of Minerals and Materials Characterization and Eng. Vol.7 No.5，September 25, 2019

DOI: 10.4236/jmmce.2019.75024 748 Downloads 2,669 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 416 Downloads 1,144 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 312 Downloads 1,410 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 152 Downloads 654 Views Citations
A Low-Memory-Requiring and Fast Approach to Cluster Large-Scale Decoy Protein Structures (Articles)

Yate-Ching Yuan, Yingzi Shang, Hongzhi Li

Open Journal of Biophysics Vol.2 No.3，July 27, 2012

DOI: 10.4236/ojbiphy.2012.23008 4,183 Downloads 8,068 Views Citations
Simultaneous Structure-Coupled Joint Inversion of Gravity and Magnetic Data Based on a Damped Least-Squares Technique (Articles)

Junjie Zhou, Chunxiao Xiu, Xingdong Zhang

International Journal of Geosciences Vol.6 No.2，February 16, 2015

DOI: 10.4236/ijg.2015.62011 3,510 Downloads 4,649 Views Citations
Electron Momentum Density and X-ray Structure Factors of Fcc-Copper (Articles)

Neha Munjal, Pooja Bhambhani, Vimal Vyas, Parvez Ahmad Alvi, Ghanshyam Sharma, Bal Krishna Sharma

World Journal of Condensed Matter Physics Vol.1 No.3，August 22, 2011

DOI: 10.4236/wjcmp.2011.13012 5,673 Downloads 11,249 Views Citations
Recent Advances in X-Ray Structures of Metal-Phenoxyl Radical Complexes (Articles)

Yuichi Shimazaki

Advances in Materials Physics and Chemistry Vol.3 No.1A，April 26, 2013

DOI: 10.4236/ampc.2013.31A009 5,238 Downloads 8,114 Views Citations
This article belongs to the Special Issue on X-Ray Diffraction
Simulation of Human Phonation with Vocal Nodules (Articles)

Shinji Deguchi, Yuki Kawahara

American Journal of Computational Mathematics Vol.1 No.3，September 19, 2011

DOI: 10.4236/ajcm.2011.13022 6,541 Downloads 12,369 Views Citations
A Study by Ab-Initio Calculation of Structural and Electronic Properties of Semiconductor Nanostructures Based on ZnSe (Articles)

A. Rachidi, E. H. Atmani, N. Fazouan, M. Boujnah

Materials Sciences and Applications Vol.7 No.9，September 29, 2016

DOI: 10.4236/msa.2016.79047 1,784 Downloads 4,051 Views Citations
This article belongs to the Special Issue on Advanced Functional Materials Research
Unimolecular Dissociation of H⁺_2n+1 Hydrogen Clusters: Measured Cross Sections and Theoretically Calculated Rate Constants (Articles)

Mohamed Tabti, Adil Eddahbi, Soufiane Assouli, Lahcen El Arroum, Said Ouaskit

World Journal of Condensed Matter Physics Vol.3 No.4，November 19, 2013

DOI: 10.4236/wjcmp.2013.34035 3,238 Downloads 5,191 Views Citations
Computational Equivalence in ER = EPR (Articles)

Logan Nye

Journal of High Energy Physics, Gravitation and Cosmology Vol.11 No.2，April 16, 2025

DOI: 10.4236/jhepgc.2025.112030 17 Downloads 116 Views Citations
Scanning of the Sun and Other Celestial Bodies with Help of Gravitation Spectroscopy (Articles)

Kristina Zubow, Anatolij Zubow, Viktor Anatolievich Zubow

Optics and Photonics Journal Vol.1 No.2，June 29, 2011

DOI: 10.4236/opj.2011.12004 4,683 Downloads 8,898 Views Citations
Transformation of the Angular Power Spectrum of the Cosmic Microwave Background (CMB) Radiation into Reciprocal Spaces and Consequences of This Approach (Articles)

Ladislav Červinka

Journal of Modern Physics Vol.2 No.11，November 23, 2011

DOI: 10.4236/jmp.2011.211165 4,530 Downloads 7,773 Views Citations
Spatial Heterogeneity Analysis of PM2.5 Concentration in Central Plains Economic Region (Articles)

Kaiguang Zhang, Hongling Meng, Mingting Ba, Yanmin Sun

Journal of Geoscience and Environment Protection Vol.8 No.12，December 28, 2020

DOI: 10.4236/gep.2020.812015 341 Downloads 861 Views Citations
First Principles Studies on the Electronic Structure and Band Structure of Paraelectric SrTiO₃ by Different Approximations (Articles)

H. Salehi

Journal of Modern Physics Vol.2 No.9，September 16, 2011

DOI: 10.4236/jmp.2011.29111 8,778 Downloads 16,239 Views Citations
Magnetic Properties and Electronic Structure of ThCo₄B (Articles)

Mohammed Said Mohammed Abu-Elmagd, Samy Hashim Aly, Sherif Yehia

Modeling and Numerical Simulation of Material Science Vol.2 No.3，July 26, 2012

DOI: 10.4236/mnsms.2012.23006 4,868 Downloads 9,065 Views Citations

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