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

Machine Learning for Identifying Overlap in Psychiatric and Neurological Drug Mechanisms (Articles)

Rocco de Filippis, Abdullah Al Foysal

Open Access Library Journal Vol.12 No.6, June 13, 2025

DOI: 10.4236/oalib.1113514 39 Downloads 344 Views Citations
Theoretical Study on the Self, Water-assisted and Au-to-assisted Dimer Proton Transfer Reaction in the N-Hydroxy-Methylen-Formamide (Articles)

Rezika Larabi, Yamina Belmiloud, Meziane Brahimi

Open Journal of Physical Chemistry Vol.1 No.2, August 25, 2011

DOI: 10.4236/ojpc.2011.12006 4,096 Downloads 9,558 Views Citations
Electronic and Structural Properties of Li₃AlP₂ and Li₃AlAs₂ from First Principles (Articles)

Mehrdad Dadsetani, Shirin Namjoo

Journal of Modern Physics Vol.2 No.9, September 16, 2011

DOI: 10.4236/jmp.2011.29110 4,695 Downloads 9,535 Views Citations
Ab Initio Calculations Study of Structural and Electronic Properties of Ternary Alloy Al_xIn_1–xAs (Articles)

Mohammed Ameri, Fatima Boufadi, Amina Touia, Meriem Faudil, Djelloul Hachemane, Keltouma Boudia, Amel Slamani, Adjadj Aze-Eddine

Materials Sciences and Applications Vol.3 No.10, October 22, 2012

DOI: 10.4236/msa.2012.310099 6,450 Downloads 10,842 Views Citations
Interaction of Atoms with Grain Surfaces in Steel: Periodic Dependence of Binding Energy on Atomic Number and Influence on Wear Resistance (Articles)

Yuri F. Migal, Vladimir I. Kolesnikov, Vladimir N. Doronkin, Evgeni S. Novikov

Advances in Materials Physics and Chemistry Vol.2 No.4, December 28, 2012

DOI: 10.4236/ampc.2012.24030 6,094 Downloads 8,835 Views Citations
Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories (Articles)

Eduardo V. Ludeña, F. Javier Torres, Cesar Costa

Journal of Modern Physics Vol.4 No.3A, March 29, 2013

DOI: 10.4236/jmp.2013.43A055 6,054 Downloads 10,915 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor (Articles)

Ngangbam Bedamani Singh, Barnali Bhattacharya, Utpal Sarkar

Soft Nanoscience Letters Vol.3 No.4A, December 4, 2013

DOI: 10.4236/snl.2013.34A003 3,723 Downloads 6,210 Views Citations
This article belongs to the Special Issue on Indo-US International Workshop on Nanosensor Science & Technology
Structure of Flavones and Flavonols. Part II: Role of Position on the O-H Bond Dissociation Enthalpy (Articles)

Maria Hr. Vakarelska-Popovska, Zhivko As. Velkov

Computational Chemistry Vol.2 No.1, January 10, 2014

DOI: 10.4236/cc.2014.21001 4,150 Downloads 13,368 Views Citations
DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives (Articles)

Nuha Ahmed Wazzan, Fatma Mohamed Mahgoub

Open Journal of Physical Chemistry Vol.4 No.1, January 29, 2014

DOI: 10.4236/ojpc.2014.41002 6,472 Downloads 11,810 Views Citations
DFT Study of Poly Furfuryl Alcohol-Rhodamine B Blend (Articles)

Aqeel M. Ali, Ali H. Al-Mowali

Advances in Chemical Engineering and Science Vol.4 No.2, April 14, 2014

DOI: 10.4236/aces.2014.42019 5,511 Downloads 7,655 Views Citations
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory (Articles)

Jyothi Prashanth, Gaddam Ramesh, Jarupula Laxman Naik, Jai Kishan Ojha, Byru Venkatram Reddy, Gandham Ramana Rao

Optics and Photonics Journal Vol.5 No.3, March 25, 2015

DOI: 10.4236/opj.2015.53008 5,613 Downloads 8,463 Views Citations
This article belongs to the Special Issue on Laser Spectroscopy and Sensing
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate (Articles)

Mahjouba Ben Nasr, Frédéric Lefebvre, Chérif Ben Nasr

American Journal of Analytical Chemistry Vol.6 No.5, April 13, 2015

DOI: 10.4236/ajac.2015.65044 5,035 Downloads 7,149 Views Citations
The Surface Reactivity of Pure and Monohydrogenated Nanocones Formed from Graphene Sheets (Articles)

Ahlam A. El-Barbary, Mohamed A. Kamel, Khaled M. Eid, Hayam O. Taha, Rasha A. Mohamed, Mohammed A. Al-Khateeb

Graphene Vol.4 No.4, September 9, 2015

DOI: 10.4236/graphene.2015.44008 3,846 Downloads 5,122 Views Citations
Mono-Vacancy and B-Doped Defects in Carbon Heterojunction Nanodevices (Articles)

Ahlam A. El-Barbary, Mohamed A. Kamel, Khaled M. Eid, Hayam O. Taha, Mohamed M. Hassan

Graphene Vol.4 No.4, September 9, 2015

DOI: 10.4236/graphene.2015.44009 3,686 Downloads 4,892 Views Citations
High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone: A First-Principles Study (Articles)

S. Abdel Aal, A. S. Shalabi, K. A. Soliman

Journal of Quantum Information Science Vol.5 No.4, December 30, 2015

DOI: 10.4236/jqis.2015.54016 4,887 Downloads 6,810 Views Citations
Investigation of the Stability of Oxadiasole and Their Analogs Using Quantum Mechanics Computation (Articles)

Masoud Karimi

Computational Chemistry Vol.4 No.1, January 13, 2016

DOI: 10.4236/cc.2016.41002 4,432 Downloads 6,565 Views Citations
Density Functional Theory Study of Exohedral Carbon Atoms Effect on Electrophilicity of Nicotine: Comparative Analysis (Articles)

S. Dheivamalar, L. Sugi, K. Ambigai

Computational Chemistry Vol.4 No.1, January 29, 2016

DOI: 10.4236/cc.2016.41003 3,029 Downloads 5,433 Views Citations
Photochemical Reactions of Microcystin-LR Following Irradiation with UV Light (Articles)

Yoshihiro Mizukami

Open Journal of Physical Chemistry Vol.6 No.4, October 25, 2016

DOI: 10.4236/ojpc.2016.64008 1,977 Downloads 3,633 Views Citations
Site Selectivity of One Hydroxyl Group Bonded on the Surface of Finite (5, 0) Zigzag Carbon Nanotube (Articles)

Afshin Abbasi, Hossein Mostaanzadeh, Reza Safari, Ebrahim Honarmand

Computational Chemistry Vol.5 No.1, December 6, 2016

DOI: 10.4236/cc.2017.51001 1,743 Downloads 3,233 Views Citations
DFT-Comparison of Anti-Cancer Effect of Ibuprofen Drug Anions and Breast Cancer Treatment by Ethanolic Solution of Nitrobenzaldehyde in Two Hours (Articles)

Anwar El-Shahawy

Computational Chemistry Vol.5 No.1, December 15, 2016

DOI: 10.4236/cc.2017.51002 1,867 Downloads 4,085 Views Citations

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