Pyrazolopyrimidine Derivative; Corrosion Inhibitors; Adsorption; DFT Calculations; Fukui Function - Articles

Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation (Articles)

Juan Frau, Daniel Glossman-Mitnik

Computational Chemistry Vol.5 No.2, April 28, 2017

DOI: 10.4236/cc.2017.52006 1,443 Downloads 2,714 Views Citations
A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile (Articles)

Durai Sakthi, Madhu Prakasam, Annamalai Prakasam, Santhanam Sivakumar, Ponnusamy Munusamy Anbarasan

Computational Chemistry Vol.5 No.3, July 27, 2017

DOI: 10.4236/cc.2017.53011 1,387 Downloads 3,831 Views Citations
Elucidating the Chemisorption Phenomena in SERS Studies via Computational Modeling (Articles)

Yvonne E. Ejorh, William H. Ilsley, Beng Guat Ooi

Optics and Photonics Journal Vol.8 No.6, June 27, 2018

DOI: 10.4236/opj.2018.86019 1,462 Downloads 4,327 Views Citations
Computational Study for the Aromatic Nucleophilic Substitution Reaction on 1-Dimethylamino-2,4-bis(trifluoroacetyl)-naphthalene with Amines (Articles)

Norio Ota, Tomohiro Nakada, Takumi Shintani, Yasuhiro Kamitori, Etsuji Okada

International Journal of Organic Chemistry Vol.8 No.3, August 2, 2018

DOI: 10.4236/ijoc.2018.83020 1,537 Downloads 3,803 Views Citations
Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone (Articles)

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.9 No.2, June 28, 2019

DOI: 10.4236/cmb.2019.92004 805 Downloads 2,126 Views Citations
Spectroscopic Characterization, Molecular Modeling and DFT/TD-DFT/PCM Calculations of Novel Hydrogen-Bonded Charge Transfer Complex between Chloranilic Acid and 2-Amino-4,6-Dimethylpyridine (Articles)

Khairia M. Al-Ahmary, Fatimah A. Alshehri, Faten M. Atlam, Mohamed K. Awad

Open Journal of Physical Chemistry Vol.10 No.1, February 13, 2020

DOI: 10.4236/ojpc.2020.101001 1,033 Downloads 3,507 Views Citations
Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes (Articles)

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

Computational Chemistry Vol.9 No.2, April 30, 2021

DOI: 10.4236/cc.2021.92006 518 Downloads 1,933 Views Citations
Dyeing Thermodynamics and Supramolecular Structure of Lac Red on Protein Fibers (Articles)

Kewen Fu, Jian Li, Dongkai Qin, Luwei Shi, Xiangyu Ni, Kaikai Zhao, Dequan Xu, Ailin Yuan, Chunling Zheng

Journal of Textile Science and Technology Vol.8 No.2, May 26, 2022

DOI: 10.4236/jtst.2022.82008 332 Downloads 1,358 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 232 Downloads 1,129 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 223 Downloads 854 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 141 Downloads 935 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 52 Downloads 337 Views Citations
Distribution of Geometrically Weighted Sum of Bernoulli Random Variables (Articles)

Deepesh Bhati, Phazamile Kgosi, Ranganath Narayanacharya Rattihalli

Applied Mathematics Vol.2 No.11, November 30, 2011

DOI: 10.4236/am.2011.211195 5,697 Downloads 11,541 Views Citations
Decomposition of Generalized Mittag-Leffler Function and Its Properties (Articles)

Jyotindra C. Prajapati, Ajay Kumar Shukla

Advances in Pure Mathematics Vol.2 No.1, January 6, 2012

DOI: 10.4236/apm.2012.21003 10,185 Downloads 30,302 Views Citations
Expression of Some Special Functions through q-Exponentials of the Nonadditive Statistical Mechanics (Articles)

Leonardo S. Lima

Journal of Modern Physics Vol.11 No.1, January 10, 2020

DOI: 10.4236/jmp.2020.111004 767 Downloads 2,285 Views Citations
Corrosion Prevention of the Generator Stator Hollow Copper Conductor and Water Quality Adjustment of Its Internal Cooling Water (Articles)

Ling PAN, Qianqian HAN, Xuenong XIE, Xuejun XIE, Peng XIAO

Energy and Power Engineering Vol.1 No.1, August 18, 2009

DOI: 10.4236/epe.2009.11003 8,507 Downloads 14,155 Views Citations
Effect of Microstructures and Material Compositions on Blister Formation (Articles)

Yunan Prawoto. Jern Phye Tan Tan, Choon Yong Loh

Materials Sciences and Applications Vol.1 No.3, August 25, 2010

DOI: 10.4236/msa.2010.13025 5,655 Downloads 10,359 Views Citations
Anti-Corrosion Performance of Cr+6-Free Passivating Layers Applied on Electrogalvanized (Articles)

Célia Regina Tomachuk, Alejandro Ramón Di Sarli, Cecilia Inés Elsner

Materials Sciences and Applications Vol.1 No.4, October 29, 2010

DOI: 10.4236/msa.2010.14032 10,470 Downloads 19,759 Views Citations
New Trends in Corrosion Analysis of Al-Sn Alloy Duplex System (Articles)

Chinedu Ekuma, Eziaku Osarolube, Ephraim O. Chukwuocha, Michael C. Onyeaju

World Journal of Condensed Matter Physics Vol.1 No.2, May 6, 2011

DOI: 10.4236/wjcmp.2011.12006 4,551 Downloads 9,057 Views Citations
Corrosion Inhibition of Mild Steel in Hydrochloric Acid by Tannins Rom Rhizophora Racemosa (Articles)

Makanjuola Oki, Ebitei Charles, Collins Alaka, Tambari Kayode Oki

Materials Sciences and Applications Vol.2 No.6, June 24, 2011

DOI: 10.4236/msa.2011.26079 9,563 Downloads 18,919 Views Citations

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