DFT Calculation - Articles - Scientific Research Publishing

DNA Base Pairs Sensors: DFT, QTAIM and NCI-RDG Study (Articles)

Nour Elyakine Amraoui, Dalila Hammoutène

Computational Chemistry Vol.12 No.4, October 31, 2024

DOI: 10.4236/cc.2024.124004 175 Downloads 1,008 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 307 Views Citations
¹³C-¹⁸O Bonds in Precipitated Calcite and Aragonite: An ab Initio Study (Articles)

Jie Yuan, Zhigang Zhang, Yigang Zhang

Open Journal of Geology Vol.4 No.9, September 26, 2014

DOI: 10.4236/ojg.2014.49034 3,076 Downloads 4,493 Views Citations
Influence of Mg²⁺, Fe²⁺ and Zn²⁺ Cations on ¹³C-¹⁸O Bonds in Precipitated Aragonite, Calcite and Dolomite: An ab Initio Study (Articles)

Jie Yuan

Open Journal of Geology Vol.5 No.5, May 11, 2015

DOI: 10.4236/ojg.2015.55023 5,450 Downloads 6,879 Views Citations
Confining Potential and Mass of Elementary Particles (Articles)

Lev I. Buravov

Journal of Modern Physics Vol.7 No.1, January 22, 2016

DOI: 10.4236/jmp.2016.71013 5,502 Downloads 7,974 Views Citations
This article belongs to the Special Issue on Neutrino Research
Embedded Place-Responsive Learning, Participatory Video and Scholastic Achievement in Northern Manitoba Adult Environmental Education (Articles)

Jeffray Roy Stepaniuk

Journal of Human Resource and Sustainability Studies Vol.7 No.2, April 16, 2019

DOI: 10.4236/jhrss.2019.72013 885 Downloads 2,310 Views Citations
Influences of Modern Calculation Tools and Efficiency of Insurance Management in the Global Pandemic Period (Articles)

Ikboljon Odashev Mashrabjonovich

Modern Economy Vol.12 No.3, March 18, 2021

DOI: 10.4236/me.2021.123026 597 Downloads 1,533 Views Citations
Planck’s Oscillators at Low Temperatures and Haken’s Perturbation Approach to the Quantum Oscillators Reconsidered (Articles)

Stanisław Olszewski

Journal of Modern Physics Vol.12 No.12, October 28, 2021

DOI: 10.4236/jmp.2021.1212100 292 Downloads 1,073 Views Citations
Advanced Sheet Pile Curtain Design: Case Study of Cotonou East Corniche (Articles)

Peace Sèna Hounkpe, Guy Oyéniran Adéoti, Patrick Oniakitan Mondoté, Éric Adéchina Alamou

Open Journal of Civil Engineering Vol.14 No.1, January 15, 2024

DOI: 10.4236/ojce.2024.141002 2,035 Downloads 3,709 Views Citations
A Pragmatic Approach for Using Conventional Electron Microprobe Analyses to Obtain Reliable Formulae for Differentiated Alkali Igneous Rock Amphiboles by Assessing the Possible Presence of Oxy-Amphibole Components (Articles)

C. Michael B. Henderson, Roger H. Mitchell

Journal of Geoscience and Environment Protection Vol.14 No.6, June 26, 2026

DOI: 10.4236/gep.2026.146010 19 Downloads 119 Views Citations
Absolute Internal Energy of the Real Gas (Articles)

Albrecht Elsner

Engineering Vol.9 No.4, April 30, 2017

DOI: 10.4236/eng.2017.94020 1,998 Downloads 5,636 Views Citations
3D Fractals, Axiom of Algebra (Δ_n)ⁿ = +1 (Articles)

Emmanuel Cadier Anaxhaoza

Advances in Pure Mathematics Vol.13 No.7, July 25, 2023

DOI: 10.4236/apm.2023.137031 168 Downloads 869 Views Citations
Shift, the Law of the Invention of Zero (Articles)

Emmanuel Cadier Anaxhaoza

Advances in Pure Mathematics Vol.13 No.5, May 16, 2023

DOI: 10.4236/apm.2023.135017 225 Downloads 1,589 Views Citations
Formation of Hybrid Ring Structure of Cyanurate/Isocyanurate in the Reaction be-tween 2,4,6-Tris(4-Phenyl-Phenoxy)-1, 3,5-Triazine and Phenyl Glycidyl Ether (Articles)

Daisuke Ohno, Kazuya Zenyoji, Youji Kurihara, Kazuyoshi Ueda, Hitoshi Habuka

International Journal of Organic Chemistry Vol.6 No.2, June 3, 2016

DOI: 10.4236/ijoc.2016.62013 3,328 Downloads 5,545 Views Citations

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