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Raman Optical Activity and Raman Spectra of Amphetamine Species—Quantum Chemical Model Calculations and Experiments
(Articles)
Rolf Willestofte Berg
,
Irene Shim
,
Peter Cyril White
,
Salim Abdali
American Journal of Analytical Chemistry
Vol.3 No.6
,June 21, 2012
DOI:
10.4236/ajac.2012.36054
6,554
Downloads
11,405
Views
Citations
Spectroscopic Discrimination of Bone Samples from Various Species
(Articles)
Gregory McLaughlin
,
Igor K. Lednev
American Journal of Analytical Chemistry
Vol.3 No.2
,February 22, 2012
DOI:
10.4236/ajac.2012.32023
5,746
Downloads
10,356
Views
Citations
Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors
(Articles)
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.10 No.4
,December 31, 2020
DOI:
10.4236/cmb.2020.104008
538
Downloads
1,605
Views
Citations
Spectroscopic Evaluation of the Molecular Structures of di-μ-Chlorobis(1,5-Cyclooctadiene) Iridium (I) and Rhodium (I) Complexes
(Articles)
Saheed A. Popoola
,
Abdulaziz A. Al-Saadi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32021
3,750
Downloads
4,662
Views
Citations
Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study
(Articles)
Yeddu Sushma Priya
,
Kokkiripati Ramachandra Rao
,
Pallavajhula Venkata Chalapathi
,
Adamilli Veeraiah
Journal of Modern Physics
Vol.9 No.4
,March 30, 2018
DOI:
10.4236/jmp.2018.94049
905
Downloads
2,120
Views
Citations
This article belongs to the Special Issue on
Advances in Density Functional Theory
Vibrational, Electronic and Structural Study of Sprayed ZnO Thin Film Based on the IR-Raman Spectra and DFT Calculations
(Articles)
Bechir Ouni
,
Tarek Larbi
,
Mosbah Amlouk
Crystal Structure Theory and Applications
Vol.11 No.2
,May 31, 2022
DOI:
10.4236/csta.2022.112002
206
Downloads
982
Views
Citations
Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.13 No.3
,September 13, 2023
DOI:
10.4236/cmb.2023.133003
72
Downloads
335
Views
Citations
The Laser Technology: New Trends in Biology and Medicine
(Articles)
Luc G. Legres
,
Christophe Chamot
,
Mariana Varna
,
Anne Janin
Journal of Modern Physics
Vol.5 No.5
,March 28, 2014
DOI:
10.4236/jmp.2014.55037
15,839
Downloads
23,354
Views
Citations
This article belongs to the Special Issue on
Progress of Laser Technology
Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR
(Review)
Cleydson B. R. Santos
,
Cleison C. Lobato
,
Francinaldo S. Braga
,
Sílvia S. S. Morais
,
Cesar F. Santos
,
Caio P. Fernandes
,
Davi S. B. Brasil
,
Lorane I. S. Hage-Melim
,
Williams J. C. Macêdo
,
José C. T. Carvalho
Computational Molecular Bioscience
Vol.4 No.1
,March 14, 2014
DOI:
10.4236/cmb.2014.41001
8,935
Downloads
20,593
Views
Citations
Is the RENP Process Probable for a Xe Atom Embedded in Quantum Solid?
(Articles)
S. T. Nakagawa
,
Y. Senju
Journal of Applied Mathematics and Physics
Vol.2 No.9
,August 22, 2014
DOI:
10.4236/jamp.2014.29097
4,574
Downloads
5,078
Views
Citations
Plasma-Electrolysis of Dinitrophenol in Gas-Liquid Boundary and Interpretation Using Molecular Orbital Theory
(Articles)
Hiroshi Okawa
,
Hiroki Kuroda
,
Keiko Hirayama-Katayama
,
Shin-Ichiro Kojima
,
Tetsuya Akitsu
World Journal of Engineering and Technology
Vol.7 No.1
,January 31, 2019
DOI:
10.4236/wjet.2019.71010
691
Downloads
1,531
Views
Citations
DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten
(Articles)
Balqees Suliman Alshareef
Open Journal of Physical Chemistry
Vol.10 No.4
,November 6, 2020
DOI:
10.4236/ojpc.2020.104012
520
Downloads
1,793
Views
Citations
Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study
(Articles)
Mikhail Yu Gorbachev
,
Natalia N. Gorinchoy
,
Ion Arsene
International Journal of Organic Chemistry
Vol.11 No.1
,January 29, 2021
DOI:
10.4236/ijoc.2021.111001
430
Downloads
1,107
Views
Citations
Molecular Orbital Nature of Solubility of Shot Chain n-Alkanes in Water and Their Reaction Rate Constants with Nitronium Cations: A DFT Study
(Articles)
Mikhail Yu. Gorbachev
,
Natalia N. Gorinchoy
International Journal of Organic Chemistry
Vol.12 No.2
,June 9, 2022
DOI:
10.4236/ijoc.2022.122008
147
Downloads
648
Views
Citations
A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives
(Articles)
María J. Márquez
,
María B. Márquez
,
Pablo G. Cataldo
,
Silvia A. Brandán
Open Journal of Synthesis Theory and Applications
Vol.4 No.1
,January 8, 2015
DOI:
10.4236/ojsta.2015.41001
4,232
Downloads
5,621
Views
Citations
DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives
(Articles)
Mohammad Ahad Hossain
,
Shahin Sultana
,
Mohammad Mazherul Islam
,
Sonia Akhter
,
Faria Nur
,
Fatima Majabin
,
Kantom Islam
,
Kazi Jawad Hossain
,
Yasuhiro Ozeki
,
Sarkar M. A. Kawsar
Computational Chemistry
Vol.11 No.4
,October 31, 2023
DOI:
10.4236/cc.2023.114006
190
Downloads
566
Views
Citations
Theoretical Design of Complex Molecule via Combination of Natural Lawsone and Synthetic Indoline D131 Dyes for Dye Sensitized Solar Cells Application
(Articles)
Nyanda Madili
,
Alexander Pogrebnoi
,
Tatiana Pogrebnaya
Computational Chemistry
Vol.6 No.4
,October 31, 2018
DOI:
10.4236/cc.2018.64007
856
Downloads
1,943
Views
Citations
HPTLC-MS as a Neoteric Hyphenated Technique for Separation and Forensic Identification of Drugs
(Articles)
Kanak Lata Verma
,
Manoj Kumar
,
Amar Pal Singh
Journal of Analytical Sciences, Methods and Instrumentation
Vol.8 No.1
,March 29, 2018
DOI:
10.4236/jasmi.2018.81001
2,003
Downloads
4,654
Views
Citations
Quantification of Inositol Hexa-Kis Phosphate in Environmental Samples
(Articles)
Lynne P. Heighton
,
Merle Zimmerman
,
Clifford P. Rice
,
Eton E. Codling
,
John A. Tossell
,
Walter F. Schmidt
Open Journal of Soil Science
Vol.2 No.1
,March 28, 2012
DOI:
10.4236/ojss.2012.21009
4,686
Downloads
7,916
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
1,042
Downloads
2,789
Views
Citations
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