Amphetamine; Raman; ROA; DFT; Molecular Orbital; Drugs; Forensic - Articles

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 944 Downloads 2,779 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 1,260 Downloads 2,865 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 947 Downloads 3,215 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 769 Downloads 2,084 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 561 Downloads 2,186 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 672 Downloads 4,248 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 311 Downloads 1,462 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 260 Downloads 1,039 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 300 Downloads 1,594 Views Citations
A Consensus Modeling Approach for the Determination of Stratum Corneum Thickness Using In-Vivo Confocal Raman Spectroscopy (Articles)

Thomas M. Hancewicz, Chunhong Xiao, Jesse Weissman, Vickie Foy, Shuliang Zhang, Manoj Misra

Journal of Cosmetics, Dermatological Sciences and Applications Vol.2 No.4, December 27, 2012

DOI: 10.4236/jcdsa.2012.24046 4,082 Downloads 7,083 Views Citations
Quantification of Solid Residues by Raman Spectroscopy (Articles)

Esau Araiza-Reyna, Roberto Sato-Berrú, América Vázquez-Olmos

Optics and Photonics Journal Vol.3 No.5A, August 27, 2013

DOI: 10.4236/opj.2013.35A001 6,021 Downloads 9,092 Views Citations
This article belongs to the Special Issue on Raman Spectroscopy
Investigation of Different Pre-Treated Multi-Walled Carbon Nanotubes by Raman Spectroscopy (Articles)

Pascal Düngen, Marina Prenzel, Casey Van Stappen, Norbert Pfänder, Saskia Heumann, Robert Schlögl

Materials Sciences and Applications Vol.8 No.8, August 17, 2017

DOI: 10.4236/msa.2017.88044 1,847 Downloads 5,217 Views Citations
This article belongs to the Special Issue on Carbon Materials
Determinants of Profitability in Zambian Banks: An Empirical Study from 2010 to 2020 (Articles)

Chresta C. Kaluba

Open Journal of Business and Management Vol.12 No.5, September 4, 2024

DOI: 10.4236/ojbm.2024.125157 191 Downloads 991 Views Citations
Mediating Effect of Corporate Governance on Corporate Social Responsibility, Market Power and Financial Performance Nexus (Articles)

Timothy Azaa Ayamga, Christine Avortri, Sharon Donnir, Kingsley Tornyeva

American Journal of Industrial and Business Management Vol.14 No.9, September 10, 2024

DOI: 10.4236/ajibm.2024.149058 252 Downloads 1,487 Views Citations
Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing It in Practice (Articles)

Diola Bagayoko

Journal of Modern Physics Vol.7 No.9, May 26, 2016

DOI: 10.4236/jmp.2016.79083 2,442 Downloads 5,061 Views Citations
This article belongs to the Special Issue on Density Functional Theory Research
Structural analyses of the interactions of SoxY and SoxZ from thermo-neutrophilic Hydrogenobacter thermophilus (Articles)

Angshuman Bagchi, Tapash Chandra Ghosh

Journal of Biophysical Chemistry Vol.2 No.4, November 9, 2011

DOI: 10.4236/jbpc.2011.24047 4,690 Downloads 8,242 Views Citations
Molecular Weight Determination of a Protease Extracted from Mucor pusillus: Comparison Methods (Articles)

Nouani Abdelouahab, Belhamiche Nabila, Slamani Roza, Belbraouet Slimane, Dako Etienne, Audet Pascal, Bellal Mohand Mouloud

Food and Nutrition Sciences Vol.6 No.3, March 13, 2015

DOI: 10.4236/fns.2015.63035 4,289 Downloads 5,608 Views Citations
Study on the Interactions of Two Isomer Selaginellins as Novel Small Molecule Inhibitors Targeting PTP1B by Docking and Molecular Dynamics Simulations (Articles)

Li Wang, Yi Wang, Dan Meng, Honglei Li

Open Access Library Journal Vol.5 No.2, February 27, 2018

DOI: 10.4236/oalib.1104277 756 Downloads 2,037 Views Citations
Rylene Dielectrophores for Capacitive Energy Storage (Articles)

Andrey Borzenko, Carine Edder, Lev Mourokh, Pavel Lazarev

Materials Sciences and Applications Vol.9 No.6, May 31, 2018

DOI: 10.4236/msa.2018.96038 907 Downloads 2,367 Views Citations
This article belongs to the Special Issue on Electrochemical Materials
Detecting Variation in the Rate of Molecular Evolution in Different Lineages of Mammals (Articles)

Sammer M. Marzouk

Open Journal of Statistics Vol.8 No.5, September 20, 2018

DOI: 10.4236/ojs.2018.85052 1,155 Downloads 2,432 Views Citations

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