Impedance and DFT Calculation - Articles - Scientific Research Publishing

Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation (Articles)

Dan A. Lerner, Constantin Balaceanu-Stolnici, Josette Weinberg, Luminita Patron

Computational Chemistry Vol.3 No.1, January 16, 2015

DOI: 10.4236/cc.2015.31003 3,627 Downloads 5,019 Views Citations
Adsorption of CO, CO₂, NO and NO₂ on Carbon Boron Nitride Hetero Junction: DFT Study (Articles)

A. A. El-Barbary, Kh. M. Eid, M. A. Kamel, H. O. Taha, G. H. Ismail

Journal of Surface Engineered Materials and Advanced Technology Vol.5 No.4, July 16, 2015

DOI: 10.4236/jsemat.2015.54019 4,960 Downloads 6,729 Views Citations
Ab Initio Calculations on Structural, Electronic and Optical Properties of ZnO in Wurtzite Phase (Articles)

Rita John, S. Padmavathi

Crystal Structure Theory and Applications Vol.5 No.2, May 13, 2016

DOI: 10.4236/csta.2016.52003 5,176 Downloads 8,804 Views Citations
Structural, Spectral (IR and UV/Visible) and Thermodynamic Properties of Some 3d Transition Metal(II) Chloride Complexes of Glyoxime and Its Derivatives: A DFT and TD-DFT Study (Articles)

Ludovid Ngouo Nogheu, Julius Numbonui Ghogomu, Desire Bikele Mama, Nyiang Kennet Nkungli, Elie Younang, Shridhar Ramachandra Gadre

Computational Chemistry Vol.4 No.4, October 25, 2016

DOI: 10.4236/cc.2016.44011 2,305 Downloads 4,743 Views Citations
Extended Koopmans’ Approximation for CASDFT Exchange-Correlation Functional (Articles)

Sergey Gusarov, Yurii Dmitriev

Journal of Applied Mathematics and Physics Vol.6 No.6, June 21, 2018

DOI: 10.4236/jamp.2018.66104 968 Downloads 2,834 Views Citations
Theoretical Study of N-Methyl-3-Phenyl-3-(4-(Trifluoromethyl) Phenoxy) Propan as a Drug and Its Five Derivatives (Articles)

Qabas M. Abdul Hussein AL-Makhzumi, Hussein I. Abdullah, Ramzie R. AL-Ani

Journal of Biosciences and Medicines Vol.6 No.8, August 29, 2018

DOI: 10.4236/jbm.2018.68007 1,299 Downloads 2,944 Views Citations
Structures, Lipophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non-Steroidal Anti-Inflammatory Drugs Diclofenac, Bromfenac and Amfenac: A Theoretical Study (Articles)

Assoma Amon Benjamine, Bede Affoué Lucie, Yapo Kicho Denis, Bamba El Hadji Sawaliho

Computational Chemistry Vol.7 No.4, September 30, 2019

DOI: 10.4236/cc.2019.74007 979 Downloads 3,318 Views Citations
DFT-Based Prediction of Bioconcentration Factors of Polychlorinated Biphenyls in Fish Species Using Molecular Descriptors (Articles)

Anil Kumar Soni, Pratibha Singh, Vishnu Kumar Sahu

Advances in Biological Chemistry Vol.10 No.1, February 6, 2020

DOI: 10.4236/abc.2020.101001 805 Downloads 2,170 Views Citations
Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand (Articles)

Divine Mbom Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, Che Dieudonne Tabong, Wirsiy Judith, Agwara Moise Ondoh

Open Journal of Inorganic Chemistry Vol.11 No.3, July 8, 2021

DOI: 10.4236/ojic.2021.113005 593 Downloads 2,259 Views Citations
Catechin and Epicatechin. What’s the More Reactive? (Articles)

Essoh Akpa Eugène, N’guessan Boka Robert, Adenidji Ganiyou, Yapo Kicho Denis, Adjou Ané, Bamba El Hadji Sawaliho

Computational Chemistry Vol.10 No.2, March 11, 2022

DOI: 10.4236/cc.2022.102003 699 Downloads 4,379 Views Citations
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes (Articles)

Insa Seck, Mohamed Lamine Sall, Atoumane Ndiaye, Samba Fama Ndoye, Lalla Aïcha Ba, Matar Seck

International Journal of Organic Chemistry Vol.13 No.4, December 6, 2023

DOI: 10.4236/ijoc.2023.134009 335 Downloads 1,529 Views Citations
A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics (Articles)

Mohammad Alauddin, Mohammad Masud Parvez, Mohammad Abdul Matin

Computational Molecular Bioscience Vol.13 No.4, December 13, 2023

DOI: 10.4236/cmb.2023.134005 285 Downloads 1,086 Views Citations
Theoretical Study of Benzothiazole and Its Derivatives: Molecular Structure, Spectroscopic Properties, NBO, MEP and TD-DFT Analyses (Articles)

Konaté Abdoulaye, Bédé Affoué Lucie, Ouattara Lamoussa, Koné Soleymane, Bamba Kafoumba

Journal of Materials Science and Chemical Engineering Vol.12 No.3, March 29, 2024

DOI: 10.4236/msce.2024.123004 341 Downloads 1,725 Views Citations
Electrochemical Generation of Zn-Chitosan Composite Coating on Mild Steel and its Corrosion Studies (Articles)

Kanagalasara Vathsala, Thimmappa Venkatarangaiah Venkatesha, Beekanahalli Mokshanatha Praveen, Kudlur Onkarappa Nayana

Engineering Vol.2 No.8, September 9, 2010

DOI: 10.4236/eng.2010.28074 6,726 Downloads 12,865 Views Citations
Force Control in Monopod Hopping Robot While Landing (Articles)

Vaidyabhushan Leela Krishnan, Pushparaj Mani Pathak, Satish Chandra Jain

Intelligent Control and Automation Vol.1 No.2, November 26, 2010

DOI: 10.4236/ica.2010.12011 6,020 Downloads 9,650 Views Citations
Effect of High Temperature Treatment on Aqueous Corrosion of Low-Carbon Steel by Electrochemical Impedance Spectroscopy (Articles)

Samuel J. Gana, Nosa O. Egiebor, Ramble Ankumah

Materials Sciences and Applications Vol.2 No.2, February 24, 2011

DOI: 10.4236/msa.2011.22011 6,652 Downloads 12,302 Views Citations
The Inhibitive Effect of 3-Methyl 4-Amino 1,2,4 Triazole on the Corrosion of Copper-Nickel 70 - 30 in NaCl 3% Solution (Articles)

Tayeb Chieb, Kamel Belmokre, Mohammed Benmessaoud, Sidi El Hassane Drissi, Najat Hajjaji, Abdellah Srhiri

Materials Sciences and Applications Vol.2 No.9, September 20, 2011

DOI: 10.4236/msa.2011.29170 5,794 Downloads 10,830 Views Citations
The Effect of Mixed Iodide Salts on the Conductivity Behavior in Ag2O-V2O5-B2O3 Superionic Glass System (Articles)

Poonam Sharma, D.K. Kanchan, Nirali Gondaliya, Meenakshi Pant, Manish S. Jayswal

New Journal of Glass and Ceramics Vol.1 No.3, October 19, 2011

DOI: 10.4236/njgc.2011.13018 4,281 Downloads 8,539 Views Citations
Electrical and Dielectric Characterization of Na_0.5Li_0.5Zr₂(PO₄)₃ (Articles)

Umaru Ahmadu, Kasim Uthman Isah, Abubakar Ohinoyi Musa, Tomas Salkus

Open Journal of Physical Chemistry Vol.1 No.3, November 25, 2011

DOI: 10.4236/ojpc.2011.13013 6,164 Downloads 11,098 Views Citations
Electrochemical Characterization of Streptavidin-HRP Immobilized on Multiwall Carbon Nanotubes for Biosensor Applications (Articles)

Imene Hafaiedh, Hamdi Baccar, Taha Ktari, Adnane Abdelghani

Journal of Biomaterials and Nanobiotechnology Vol.3 No.1, January 12, 2012

DOI: 10.4236/jbnb.2012.31005 6,754 Downloads 12,342 Views Citations

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