Density Functional Calculations - Articles - Scientific Research Publishing

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 207 Downloads 779 Views Citations
Euler’s Forgotten Equation of the Center (Articles)

Sylvio R. Bistafa

Advances in Historical Studies Vol.10 No.1, March 15, 2021

DOI: 10.4236/ahs.2021.101005 571 Downloads 2,414 Views Citations
Improving Functional Characteristics of Wool and Some Synthetic Fibres (Articles)

O. G. Allam

Open Journal of Organic Polymer Materials Vol.1 No.1, October 25, 2011

DOI: 10.4236/ojopm.2011.11002 10,392 Downloads 23,603 Views Citations
Processing Treatments of Beniseed (Sesamum indicum Linn) on Nutrients, Anti-Nutrients Composition and Functional Properties of Flour (Articles)

Nwamaka A. Obeta, Chika E. Otuu, Fabian U. Ugwuona, Evangeline S. Peter

Food and Nutrition Sciences Vol.11 No.4, April 29, 2020

DOI: 10.4236/fns.2020.114023 930 Downloads 3,318 Views Citations
Generalized Demand Densities for Retail Price Investigation (Articles)

Philip Thomas, Alec Chrystal

American Journal of Industrial and Business Management Vol.3 No.3, June 27, 2013

DOI: 10.4236/ajibm.2013.33034 5,363 Downloads 7,926 Views Citations
Rigidity in Subclasses of Transitive and Mixing Systems (Articles)

Dawoud Ahmadi Dastjerdi, Maliheh Dabbaghian Amiri

Advances in Pure Mathematics Vol.2 No.6, November 29, 2012

DOI: 10.4236/apm.2012.26066 3,663 Downloads 6,351 Views Citations
Novel Mixture of Materials Produces Bone- and Soft Tissue-Like Imaging Density (Articles)

Saddig D. Jastaniah

Open Journal of Biophysics Vol.6 No.4, September 1, 2016

DOI: 10.4236/ojbiphy.2016.64010 1,810 Downloads 2,866 Views Citations
Modified atomic orbital theory applied to the calculation of high-lying ₂(K,T)_n^±1,3P° rydberg series of he-like ions (Articles)

Ibrahima Sakho

Natural Science Vol.4 No.1, December 31, 2011

DOI: 10.4236/ns.2012.41011 4,733 Downloads 8,289 Views Citations
In silico Study on Sulfated and Non-Sulfated Carbohydrate Chains from Proteoglycans in Cnidaria and Interaction with Collagen (Articles)

Thomas Eckert, Sabine Stötzel, Monika Burg-Roderfeld, Judith Sewing, Thomas Lütteke, Nikolay E. Nifantiev, Johannes F. G. Vliegenthart, Hans-Christian Siebert

Open Journal of Physical Chemistry Vol.2 No.2, May 22, 2012

DOI: 10.4236/ojpc.2012.22017 4,994 Downloads 9,435 Views Citations
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum (Articles)

Nicolay I. Dodoff

Computational Molecular Bioscience Vol.2 No.2, June 29, 2012

DOI: 10.4236/cmb.2012.22004 6,915 Downloads 17,577 Views Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters (Articles)

Mohamed Tabti, Adil Eddahbi, Said Ouaskit, Lahcen Elarroum

World Journal of Condensed Matter Physics Vol.2 No.3, August 31, 2012

DOI: 10.4236/wjcmp.2012.23023 4,075 Downloads 7,455 Views Citations
Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties (Articles)

Elida Romano, María V. Castillo, Jorgelina L. Pergomet, Juan Zinczuk, Silvia A. Brandán

Open Journal of Synthesis Theory and Applications Vol.2 No.1, January 28, 2013

DOI: 10.4236/ojsta.2013.21002 5,090 Downloads 9,477 Views Citations
An Adjusted Model for Simple 1,2-Dyotropic Reactions. Ab Initio MO and VB Considerations (Articles)

Henk M. Buck

Open Journal of Physical Chemistry Vol.3 No.3, August 6, 2013

DOI: 10.4236/ojpc.2013.33015 3,327 Downloads 6,126 Views Citations
Construction of Periodic Solutions of One Class Nonautonomous Systems of Differential Equations (Articles)

Alexander N. Pchelintsev

Journal of Applied Mathematics and Physics Vol.1 No.3, August 23, 2013

DOI: 10.4236/jamp.2013.13001 4,058 Downloads 8,805 Views Citations
Estimation of the Temperature in the Weld Penetration Channel in Electron Beam Welding (Articles)

D. N. Trushnikov, E. S. Salomatova, V. Ya. Belenkiy

Journal of Power and Energy Engineering Vol.1 No.7, November 28, 2013

DOI: 10.4236/jpee.2013.17009 3,661 Downloads 6,131 Views Citations
Synthesis, Spectroscopic Investigations, Quantum Chemical Studies (Ab-initio & DFT) and Antimicrobial Activities of 3-(3-Chloro-4,5-dimethoxy-phenyl)-1-(4, 5-dimethoxy-2-methyl-Phenyl) prop-2-en-1-one (Articles)

Urmila H. Patel, Sahaj A. Gandhi, Vijay M. Barot, Mitesh C. Patel

Crystal Structure Theory and Applications Vol.2 No.4, December 24, 2013

DOI: 10.4236/csta.2013.24023 5,378 Downloads 9,352 Views Citations
Fine Structure Analysis of the Configuration System of V II. Part I: Even-Parity Levels (Articles)

Safa Bouazza, Richard A. Holt, David S. Rosner, Nathan M. R. Armstrong

Journal of Modern Physics Vol.5 No.7, April 29, 2014

DOI: 10.4236/jmp.2014.57061 2,555 Downloads 4,168 Views Citations
This article belongs to the Special Issue on Surface Physics
Fine Structure Analysis of the Configuration System of V II. Part II: Odd-Parity Levels (Articles)

Safa Bouazza, Richard A. Holt, David S. Rosner, Nathan M. R. Armstrong

Journal of Modern Physics Vol.5 No.7, April 29, 2014

DOI: 10.4236/jmp.2014.57062 2,497 Downloads 4,225 Views Citations
This article belongs to the Special Issue on Surface Physics
Theoretical Study of the Structure and Vibrational Spectrum of [Zn(2-Aminothiazole)₂Cl₂] (Articles)

Rumyana Yankova

Open Access Library Journal Vol.2 No.9, September 10, 2015

DOI: 10.4236/oalib.1101864 734 Downloads 1,537 Views Citations
[Azo-Hyd] Tautomerism and Structure of Selected Metal Complex Dyes AM1 and ZINDO/1 Methods (Articles)

Krzysztof Wojciechowski, Lucjan Szuster

Computational Chemistry Vol.4 No.4, October 19, 2016

DOI: 10.4236/cc.2016.44010 2,336 Downloads 4,571 Views Citations

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