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ISSN
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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
1,762
Downloads
2,960
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
1,530
Downloads
2,613
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
1,654
Downloads
3,424
Views
Citations
A Proposed Orthogonal Chirp Division Multiplexing (OCDM) Multicarrier Transceiver Based on the Discrete Fractional Cosine Transform
(Articles)
Hani Attar
,
Ahmed Solyman
Journal of Computer and Communications
Vol.5 No.2
,February 24, 2017
DOI:
10.4236/jcc.2017.52005
1,547
Downloads
3,065
Views
Citations
Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method
(Articles)
Fatma Sevin
,
Mostafa Asghari Dilmani
,
Kübra Sarıkavak
,
Samira Farshbaf Jeddi
Computational Chemistry
Vol.5 No.2
,April 30, 2017
DOI:
10.4236/cc.2017.52007
1,393
Downloads
2,336
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
2,121
Views
Citations
This article belongs to the Special Issue on
Advances in Density Functional Theory
Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.8 No.2
,June 7, 2018
DOI:
10.4236/cmb.2018.82004
930
Downloads
2,178
Views
Citations
Molecular Structure, Electronic Structure, Properties and Analyses of Five Azopyridine Ruthenium Complexes α-Cl, β-Cl, γ-Cl, δ-Cl and ε-Cl of RuCl
2
(4,6-Dimethyl-Phenylazopyridine)
2
as Potential Cancer Drugs: DFT and TD-DFT Investigations
(Articles)
Nobel Kouakou N’Guessan
,
Kafoumba Bamba
,
Ouattara Wawohinlin Patrice
,
Nahossé Ziao
Computational Chemistry
Vol.6 No.3
,July 4, 2018
DOI:
10.4236/cc.2018.63003
860
Downloads
2,309
Views
Citations
7-(2-Ethyltiophenyl) Theophylline as Copper Corrosion Inhibitor in 1M HNO
3
(Articles)
Ouédraogo Augustin
,
Akpa Sagne Jacques
,
Diki N’guessan Yao Silvère
,
Diomande Gbe Gondo Didier
,
Coulibaly Nagnonta Hippolyte
,
Trokourey Albert
Journal of Materials Science and Chemical Engineering
Vol.6 No.8
,August 31, 2018
DOI:
10.4236/msce.2018.68004
968
Downloads
2,191
Views
Citations
Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.1
,March 18, 2019
DOI:
10.4236/cmb.2019.91002
742
Downloads
1,942
Views
Citations
Analysis of Iron, Scandium, Samarium, and Zinc in Commercial Fertilizers and the Chemistry behind the Stability of These Metals in the Fertilizers
(Articles)
Md Sajjadur Rahman
,
Syed Mohammod Hossain
,
Mir Tamzid Rahman
,
Mahbub Kabir
Journal of Agricultural Chemistry and Environment
Vol.8 No.3
,August 16, 2019
DOI:
10.4236/jacen.2019.83013
708
Downloads
1,512
Views
Citations
DFT Study, Linear and Nonlinear Multiple Regression in the Prediction of HDAC7 Inhibitory Activities on a Series of Hydroxamic Acids
(Articles)
Doh Soro
,
Lynda Ekou
,
Bafétigué Ouattara
,
Mamadou Guy-Richard Kone
,
Tchirioua Ekou
,
Nahossé Ziao
Computational Molecular Bioscience
Vol.9 No.3
,September 2, 2019
DOI:
10.4236/cmb.2019.93006
644
Downloads
1,475
Views
Citations
Dipole Moments of the Bioactive Constituents Present in Flutab Drug by
Ab-Initio
Calculations
(Articles)
Raghad Alajlani
,
Amal Alssadi
Open Journal of Physical Chemistry
Vol.9 No.4
,November 8, 2019
DOI:
10.4236/ojpc.2019.94013
855
Downloads
2,438
Views
Citations
Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and Its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.4
,November 25, 2019
DOI:
10.4236/cmb.2019.94008
466
Downloads
1,334
Views
Citations
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
(Articles)
Bibata Konate
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,December 4, 2020
DOI:
10.4236/cc.2021.91001
398
Downloads
1,121
Views
Citations
Comparative Studies of Some Novel Cu(II) Polymeric Complexes Derived from Cyanoacetylhydrazine (CAH; L). The Role of Solvents Used on the Structure and Geometry of the Isolated Cu
2+
Complexes
(Articles)
Mohsen M. Mostafa
Open Journal of Inorganic Chemistry
Vol.11 No.4
,October 20, 2021
DOI:
10.4236/ojic.2021.114008
217
Downloads
844
Views
Citations
DFT Study of Se-Doped Nanocones as Highly Efficient Hydrogen Storage Carrier
(Articles)
Ahlam Abdulmonem Ahmed EL-Barbary
,
Mohammed Ahmed Alkhateeb
Graphene
Vol.10 No.4
,November 12, 2021
DOI:
10.4236/graphene.2021.104004
225
Downloads
1,056
Views
Citations
Corrosion Inhibition Studies of Benzoxazole Derivates for N80 Steel in 1 M HCl Solution: Synthesis, Experimental, and DTF Studies
(Articles)
Dongqiu Yang
,
Xiaojun Feng
,
Ning Yan
,
Yanqun Wang
,
Lilin Lu
,
Ping Mei
,
Wu Chen
,
Lu Lai
Open Journal of Yangtze Oil and Gas
Vol.7 No.2
,March 1, 2022
DOI:
10.4236/ojogas.2022.72007
269
Downloads
1,447
Views
Citations
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
207
Downloads
986
Views
Citations
NBO Analysis by ONIOM and DFT (B3LYP) Calculations of Intramolecular and Intermolecular Interactions of Artemisinin, Quinine and Thirteen Manzamenones with H
2
O or Alanine
(Articles)
Atse Adepo Jacques
,
Kone Soleymane
,
Diomande Sékou
,
Et Bamba El-Hadji Sawaliho
Journal of Materials Science and Chemical Engineering
Vol.10 No.10
,October 31, 2022
DOI:
10.4236/msce.2022.1010006
122
Downloads
497
Views
Citations
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