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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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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
126
Downloads
653
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
149
Downloads
898
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
122
Downloads
811
Views
Citations
This article belongs to the Special Issue on
QSAR Studies on HIV-1 Protease—A Battle against HIV Using Computational Chemistry
()
Pokala Sai Kovela Sanjana
,
Radhika Vangala
,
Sree Kanth Sivan
Computational Chemistry
Vol.13 No.1
, January 27, 2025
DOI:
10.4236/cc.2025.131001
89
Downloads
624
Views
Citations
This article belongs to the Special Issue on
DNA Base Pairs Sensors: DFT, QTAIM and NCI-RDG Study
()
Nour Elyakine Amraoui
,
Dalila Hammoutène
Computational Chemistry
Vol.12 No.4
, October 31, 2024
DOI:
10.4236/cc.2024.124004
177
Downloads
1,058
Views
Citations
This article belongs to the Special Issue on
S
E
Ar Mechanism of the Products of 1,2-Dimethoxybenzene and a Captodative Olefin: A Theoretical Approach
()
René Santana-García
,
Judit Aviña-Verduzco
,
Rafael Herrera-Bucio
,
Pedro Navarro-Santos
Computational Chemistry
Vol.12 No.3
, October 9, 2024
DOI:
10.4236/cc.2024.123003
163
Downloads
1,018
Views
Citations
This article belongs to the Special Issue on
Prediction of the Photofading of Selected Derivatives of 5-(4-X-Phenylazo)-3-Cyano-1-(H or Ethyl)-6-Hydroxy-4-Methyl-2-Pyridone: Theoretical Studies, Comparison of AM1 and PM3 Methods
()
Krzysztof Wojciechowski
,
Lucjan Szuster
Computational Chemistry
Vol.12 No.2
, April 30, 2024
DOI:
10.4236/cc.2024.122002
189
Downloads
736
Views
Citations
This article belongs to the Special Issue on
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