DFT Calculation - Articles - Scientific Research Publishing

Molecular Orbital Nature of Solubility of Shot Chain n-Alkanes in Water and Their Reaction Rate Constants with Nitronium Cations: A DFT Study (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy

International Journal of Organic Chemistry Vol.12 No.2, June 9, 2022

DOI: 10.4236/ijoc.2022.122008 349 Downloads 1,302 Views Citations
Theoretical Investigation of Ru(II) Complexes as Photosensitizer for Photodynamic Therapy (Articles)

Bamba Kafoumba, Ouattara Lamoussa, Massapihanhoro Pierre Ouattara, Ouattara Wawohinlin Patrice, Diarrassouba Fatogoma, N’guessan Kouakou Nobel, Ehouman Ahissan Donatien, Ziao Nahossé

Computational Molecular Bioscience Vol.12 No.2, June 29, 2022

DOI: 10.4236/cmb.2022.122007 239 Downloads 1,169 Views Citations
Electronic Aspects of the Synergistic Antioxidant Interaction of Various Pairs “Phenolic Food Acid and Glutathione” in Their Reactions with the Stable Radical Cation ABTS^+· (Articles)

Mikhail Yu. Gorbachev, Natalia N. Gorinchoy, Iolanta I. Balan

International Journal of Organic Chemistry Vol.13 No.3, September 26, 2023

DOI: 10.4236/ijoc.2023.133008 334 Downloads 1,214 Views Citations
Theoretical Investigation on the Stability and Reactivity of Imidazo [1,2-a] Pyridine N-Acylhydrazone Derivatives Using Density Functional Theory (Articles)

Camara Tchambaga Etienne, Sangare Kassoum, Dosso Ouehi, Ablo Evrard, Sekou Diomande, Souleymane Coulibaly, Siomenan Coulibali

Computational Chemistry Vol.12 No.1, January 31, 2024

DOI: 10.4236/cc.2024.121001 249 Downloads 924 Views Citations
Study the Structural, Electronic, Optical Properties of CZTS Compound after Doping Ba at Zn Site and Si at Sn Site Using Density Functional Theory (DFT) (Articles)

Fatema Najrin, Rabeya Bakar Sarna, Sayedul Hasan, Shariful Islam, Budrun Neher, Md. Mahbubur Rahman Bhuiyan, Farid Ahmed

Materials Sciences and Applications Vol.15 No.9, September 11, 2024

DOI: 10.4236/msa.2024.159021 155 Downloads 1,001 Views Citations
Hybrid Singular Parameter Phasor Measurement Based on the Discrete Fourier Transform (DFT)-Adaptive Artificial Neural Network (ADALINE) Algorithm (Articles)

Gabriel Musonda, Charles Lubobya, Ackim Zulu

Journal of Power and Energy Engineering Vol.13 No.9, September 24, 2025

DOI: 10.4236/jpee.2025.139019 72 Downloads 385 Views Citations
Computational Investigation of Mannopyranoside Derivatives as Potential Dopamine D2 Inhibitors Using DFT and Molecular Docking Approaches (Articles)

Md. Raihan Sarker, Sarkar M. A. Kawsar

Computational Chemistry Vol.14 No.3, June 30, 2026

DOI: 10.4236/cc.2026.143003 15 Downloads 110 Views Citations
Valuation of Credit Default Swap with Counterparty Default Risk by Structural Model (Articles)

Jin Liang, Peng Zhou, Yujing Zhou, Junmei Ma

Applied Mathematics Vol.2 No.1, January 30, 2011

DOI: 10.4236/am.2011.21012 7,794 Downloads 16,900 Views Citations
Predication of 3-D Viscous Flowfield of a Centrifugal Impeller (Articles)

Limin Gao, Xudong Feng, Jian Xie

Energy and Power Engineering Vol.3 No.1, February 25, 2011

DOI: 10.4236/epe.2011.31005 5,854 Downloads 10,237 Views Citations
Fault Diagnosis in Distribution Networks with Distributed Generation (Articles)

Amany M. El-Zonkoly

Smart Grid and Renewable Energy Vol.2 No.1, February 28, 2011

DOI: 10.4236/sgre.2011.21001 8,942 Downloads 17,746 Views Citations
Temperature and Heat Flux Distributions through Single and Double Window Glazing Nongray Calculation (Articles)

Maatouk Khoukhi, Shigenao Maruyama

Smart Grid and Renewable Energy Vol.2 No.1, February 28, 2011

DOI: 10.4236/sgre.2011.21003 7,840 Downloads 13,978 Views Citations
Synthesis and Properties of Polythiophène Benzylidene and Their Photovoltaic Applications (Articles)

Reguig Bendoukha Abdelkarim, Ahmed Yahiaoui, Aïcha Hachemaoui, Mohammed Belbachir, Abdelbasset Khelil

Materials Sciences and Applications Vol.2 No.8, August 31, 2011

DOI: 10.4236/msa.2011.28137 4,788 Downloads 8,507 Views Citations
Grounding Locations Assessment of Practical Power System (Articles)

Nadheer A. Shalash, Ahmed M. A. Haidar, Kousay Abdul Sattar

Energy and Power Engineering Vol.4 No.1, January 17, 2012

DOI: 10.4236/epe.2012.41003 6,828 Downloads 11,576 Views Citations
Design and Calculation for Test Tube with the Aim of Regulation Simultaneous Crystallization Tests (Articles)

Aco Janicijevic, Nebojsa Danilovic, Branislav Cabric

Journal of Crystallization Process and Technology Vol.2 No.3, July 26, 2012

DOI: 10.4236/jcpt.2012.23016 3,339 Downloads 6,737 Views Citations
Bonding Characteristics of TiC and TiN (Articles)

Kuiying Chen, Sami Kamran

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

DOI: 10.4236/mnsms.2013.31002 11,087 Downloads 17,372 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 5,563 Views Citations
Power System Reactive Power Optimization Based on Fuzzy Formulation and Interior Point Filter Algorithm (Articles)

Zheng Fan, Wei Wang, Tian-jiao Pu, Guang-yi Liu, Zhi Cai, Ning Yang

Energy and Power Engineering Vol.5 No.4B, October 31, 2013

DOI: 10.4236/epe.2013.54B134 5,645 Downloads 7,213 Views Citations
Modeling Simulation Technology Research for Distribution Network Planning (Articles)

Huanghuang Liu, Dan Liu, Qianjin Liu

Energy and Power Engineering Vol.5 No.4B, November 12, 2013

DOI: 10.4236/epe.2013.54B188 11,979 Downloads 14,143 Views Citations
Subjectivity in Application of the Principle of Maximum Entropy (Articles)

Jan Peter Hessling

Open Journal of Statistics Vol.3 No.6A, December 27, 2013

DOI: 10.4236/ojs.2013.36A001 3,123 Downloads 5,656 Views Citations
This article belongs to the Special Issue on Statistical Methods and Analysis
Dosimetric Comparison of Different Prescription Modes in Lung Stereotactic Body Radiation Therapy (Articles)

Hideharu Miura, Norihisa Masai, Ryoong-Jin Oh, Hiroya Shiomi, Kouichi Yamada, Junichi Sasaki, Muhammad Nauman Usmani, Toshihiko Inoue

International Journal of Medical Physics, Clinical Engineering and Radiation Oncology Vol.3 No.1, January 27, 2014

DOI: 10.4236/ijmpcero.2014.31003 4,555 Downloads 8,192 Views Citations

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