Discrete Fourier Transformation DFT - Articles - Scientific Research Publishing

Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond (Articles)

Jumber Kereselidze, Marine Kvaraia, George Mikuchadze

Computational Molecular Bioscience Vol.4 No.2，September 17, 2014

DOI: 10.4236/cmb.2014.42004 3,616 Downloads 4,758 Views Citations
A Comparative Study of Electronic Properties of Bulk MoS2 and Its Monolayer Using DFT Technique: Application of Mechanical Strain on MoS2 Monolayer (Articles)

Sohail Ahmad, Sugata Mukherjee

Graphene Vol.3 No.4，October 20, 2014

DOI: 10.4236/graphene.2014.34008 15,353 Downloads 23,412 Views Citations
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 3,535 Downloads 4,693 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

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

DOI: 10.4236/jsemat.2015.54019 4,827 Downloads 6,323 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 4,969 Downloads 8,144 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 2,191 Downloads 4,329 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 858 Downloads 2,509 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 1,189 Downloads 2,528 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 832 Downloads 2,736 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 700 Downloads 1,812 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 486 Downloads 1,835 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 575 Downloads 3,601 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 246 Downloads 1,056 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 180 Downloads 779 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 210 Downloads 1,087 Views Citations
Physical Significance of Measure (Articles)

Jody A. Geiger

Journal of High Energy Physics, Gravitation and Cosmology Vol.6 No.1，January 15, 2020

DOI: 10.4236/jhepgc.2020.61008 984 Downloads 3,481 Views Citations
Multiple Image Watermarking with Discrete Cosine Transform (Articles)

Mahbuba Begum, Mohammad Shorif Uddin

Journal of Computer and Communications Vol.9 No.3，March 29, 2021

DOI: 10.4236/jcc.2021.93006 767 Downloads 2,563 Views Citations
Limited Re-Sequencing for Mixed-Models with Multiple Objectives, Part II: A Permutation Approach (Articles)

Patrick R. McMullen

American Journal of Operations Research Vol.2 No.1，March 14, 2012

DOI: 10.4236/ajor.2012.21002 5,785 Downloads 8,812 Views Citations
Comparison of Wavelet Types and Thresholding Methods on Wavelet Based Denoising of Heart Sounds (Articles)

Burhan Ergen

Journal of Signal and Information Processing Vol.4 No.3B，October 17, 2013

DOI: 10.4236/jsip.2013.43B029 4,308 Downloads 6,546 Views Citations
Algorithms for Computing Some Invariants for Discrete Knots (Articles)

Gabriela Hinojosa, David Torres, Rogelio Valdez

Applied Mathematics Vol.4 No.11，November 5, 2013

DOI: 10.4236/am.2013.411206 3,408 Downloads 5,300 Views Citations

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