Density Functional - Articles - Scientific Research Publishing

Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations (Articles)

Ziran Chen, Yujin Zhang, Zhanrong He, Yonghua Guan, Yuan Li, Hongping Li

Computational Chemistry Vol.8 No.4, October 30, 2020

DOI: 10.4236/cc.2020.84005 688 Downloads 1,972 Views Citations
DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten (Articles)

Balqees Suliman Alshareef

Open Journal of Physical Chemistry Vol.10 No.4, November 6, 2020

DOI: 10.4236/ojpc.2020.104012 877 Downloads 2,750 Views Citations
Redshift of Excitation Wavelength Caused by the Concentration of L-Tryptophan in Water: A Theoretical and Experimental Study (Articles)

Diana Milena Uriza-Prias, Antonio Méndez-Blas, Juan Francisco Rivas-Silva

Open Journal of Physical Chemistry Vol.11 No.2, May 26, 2021

DOI: 10.4236/ojpc.2021.112005 582 Downloads 2,943 Views Citations
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT (Articles)

Numbonui Stanley Tasheh, Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu

Computational Chemistry Vol.9 No.3, July 14, 2021

DOI: 10.4236/cc.2021.93010 536 Downloads 2,443 Views Citations
The Effective Chiral Model of Quantum Hadrodynamics Applied to Nuclear Matter and Neutron Stars (Articles)

Hiroshi Uechi

Journal of Applied Mathematics and Physics Vol.3 No.2, January 30, 2015

DOI: 10.4236/jamp.2015.32017 5,026 Downloads 6,227 Views Citations
Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and ab Initio HF Calculations (Articles)

Charef Tabti, Nadia Benhalima

Advances in Materials Physics and Chemistry Vol.5 No.7, July 22, 2015

DOI: 10.4236/ampc.2015.57023 5,760 Downloads 7,556 Views Citations
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH₃ (Articles)

Tao Liu, Tao Gao

Journal of Applied Mathematics and Physics Vol.11 No.4, April 28, 2023

DOI: 10.4236/jamp.2023.114073 230 Downloads 822 Views Citations
Assessment of (2E)-1-(4-Methoxyphenyl)-3-(2-Phenyl H-Imidazo [1, 2-a] Pyridine-3-yl) Prop-2-en-1-One Adsorption for Aluminum Corrosion Inhibition in Hydrochloric Acid: Gravimetric, Thermodynamic, and DFT Study (Articles)

Mbouillé Cissé, Souleymane Bamba, Amadou Kouyaté, Mougo André Tigori, Kouadio Achille Yao, Bini Kouamé Dongui, Paulin Marius Niamien

Journal of Materials Science and Chemical Engineering Vol.13 No.10, October 31, 2025

DOI: 10.4236/msce.2025.1310003 48 Downloads 305 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 371 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 10,472 Downloads 23,717 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 971 Downloads 3,420 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 5,389 Downloads 7,984 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 3,703 Downloads 6,417 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 1,837 Downloads 2,922 Views Citations
A Simple Proof That the Curl Defined as Circulation Density Is a Vector-Valued Function, and an Alternative Approach to Proving Stoke’s Theorem (Articles)

David McKay

Advances in Pure Mathematics Vol.2 No.1, January 9, 2012

DOI: 10.4236/apm.2012.21007 11,670 Downloads 19,029 Views Citations
Difference Sets of Null Density Subsets of N (Articles)

Dawoud Ahmadi Dastjerdi, Maryam Hosseini

Advances in Pure Mathematics Vol.2 No.3, May 29, 2012

DOI: 10.4236/apm.2012.23027 5,152 Downloads 8,900 Views Citations
Evidence that Low Density Lipoprotein Is the Primary Cause of Atherosclerotic Cardiovascular Disease: A Bradford-Hill Approach (Articles)

David S. Schade, Deborah Helitzer, Philip Eaton

World Journal of Cardiovascular Diseases Vol.7 No.9, September 19, 2017

DOI: 10.4236/wjcd.2017.79025 1,948 Downloads 8,870 Views Citations
Influence of Tree Density on Vegetation Composition and Soil Chemical Properties in Savanna Rangeland of Eastern Cape, South Africa (Articles)

Sive Tokozwayo, Keletso Mopipi, Eric Cofie Timpong-Jones

Agricultural Sciences Vol.12 No.10, September 30, 2021

DOI: 10.4236/as.2021.1210064 458 Downloads 2,072 Views Citations
Density Functions and Descriptive Statistics for Distance Measures in Cartesian Space (Articles)

Patrick R. McMullen

American Journal of Operations Research Vol.15 No.5, August 29, 2025

DOI: 10.4236/ajor.2025.155008 122 Downloads 708 Views Citations
Rational Cost Estimation of Dedicated Software Systems (Articles)

Beata Czarnacka-Chrobot

Journal of Software Engineering and Applications Vol.5 No.4, April 23, 2012

DOI: 10.4236/jsea.2012.54031 3,637 Downloads 6,755 Views Citations

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