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Computational Chemistry
Submission
Computational Chemistry
ISSN Print:
2332-5968
ISSN Online:
2332-5984
www.scirp.net/journal/cc
E-mail:
[email protected]
Google-based Impact Factor:
0.82
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DFT Study of the Reactivity of Some Methylenepyran Derivatives Used in Dye-Sensitized Solar Cells
()
Yacouba Bakayoko
,
Amon Benjamine Assoma
,
Georges Stéphane Dembélé
,
Mawa Kone
Computational Chemistry
Vol.14 No.4
, September 4, 2026
DOI:
10.4236/cc.2026.144006
8
Downloads
105
Views
Citations
This article belongs to the Special Issue on
Semiempirical Molecular-Orbital Calculations of the Atomization Energies of Organic Molecules
()
Robert W. Smithwick
,
Sharani Roy
Computational Chemistry
Vol.14 No.4
, August 17, 2026
DOI:
10.4236/cc.2026.144005
16
Downloads
142
Views
Citations
This article belongs to the Special Issue on
Theoretical Analysis of the Light Fastness of Reactive Dyes on Cellulose
()
Krzysztof Wojciechowski
Computational Chemistry
Vol.14 No.3
, July 31, 2026
DOI:
10.4236/cc.2026.143004
12
Downloads
111
Views
Citations
This article belongs to the Special Issue on
Computational Investigation of Mannopyranoside Derivatives as Potential Dopamine D2 Inhibitors Using DFT and Molecular Docking Approaches
()
Md. Raihan Sarker
,
Sarkar M. A. Kawsar
Computational Chemistry
Vol.14 No.3
, June 30, 2026
DOI:
10.4236/cc.2026.143003
22
Downloads
176
Views
Citations
This article belongs to the Special Issue on
Tunable Energetic Stabilization Governs Self- and Mixed-Aggregation of Möbius and Bracelet Cyclotides
()
Nithikumar R. Yadav
,
Eric N. Njabon
,
Issofa Patouossa
,
Neville Y. Forlemu
Computational Chemistry
Vol.14 No.2
, March 20, 2026
DOI:
10.4236/cc.2026.142002
84
Downloads
331
Views
Citations
This article belongs to the Special Issue on
Quantum Dynamical Effects in 2-(2-Furyl)-3-Hydroxychromone Using Path Integral Molecular Dynamics
()
Abdallah Brahim Elhadj Ali
,
Dieudonné Platou Foulla
,
Yapara Kanabet
,
Pale Wang-Yang
,
Daniel Lissouck
,
Stève-Jonathan Koyambo-Konzapa
Computational Chemistry
Vol.14 No.1
, November 28, 2025
DOI:
10.4236/cc.2026.141001
78
Downloads
470
Views
Citations
This article belongs to the Special Issue on
Computational Studies on Keto-Enol Tautomerism of Mesoxaldehyde, 1,2-Bis-Phenyl Hydrazone (MBPH) in the Gas Phase Using HF and DFT Methods, to Investigate the Possibility of Using This Structure for the Synthesis of Different Heterocyclic Compounds, Confirmed by Spectral Tools
()
Sohila H. Mancy
,
Mohamed A. El Sekily
,
Nagwa M. M. Hamada
Computational Chemistry
Vol.13 No.4
, September 8, 2025
DOI:
10.4236/cc.2025.134005
144
Downloads
660
Views
Citations
This article belongs to the Special Issue on
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