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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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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
15
Downloads
103
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
75
Downloads
282
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
72
Downloads
415
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
133
Downloads
593
Views
Citations
This article belongs to the Special Issue on
Geometry Optimization, Quantum Chemical Analysis, Visual Study of Weak Interactions, and the Antifungal Activity Studies of Some Metal (II) Complexes of 1,4-Benzodioxane-6-Carbaldehyde Thiosemicarbazone by Molecular Docking
()
Roland B. Enongene
,
Gwendoline M. Toh-Boyo
,
Bridget N. Ndosiri
,
Emmanuel N. Nfor
,
Offiong E. Ofiong
,
Hitler Louis
Computational Chemistry
Vol.13 No.4
, August 29, 2025
DOI:
10.4236/cc.2025.134004
116
Downloads
571
Views
Citations
This article belongs to the Special Issue on
QSAR Models: Exploring Limits in Three Cases
()
El Hadji Sawaliho Bamba
Computational Chemistry
Vol.13 No.3
, June 25, 2025
DOI:
10.4236/cc.2025.133003
141
Downloads
810
Views
Citations
This article belongs to the Special Issue on
Comprehensive Analysis of
Nigella sativa
from North Central Nigeria: Phytochemical, Elemental, and Potential Medicinal Properties
()
Murtala M. Jibril
,
Mohammed Bello Mohammed
,
Cecilia Dafiel Edeh
,
Ede Samuel Otokpe
,
Ali Ishaq Shugaba
,
Ekwere O. Ekwere
Computational Chemistry
Vol.13 No.2
, April 30, 2025
DOI:
10.4236/cc.2025.132002
115
Downloads
668
Views
Citations
This article belongs to the Special Issue on
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