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Computational Chemistry
Submission
Computational Chemistry
ISSN Print:
2332-5968
ISSN Online:
2332-5984
www.scirp.org/journal/cc
E-mail:
cc@scirp.org
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The Oryzenin’s Effect on Di, Tri and Quadri-Saccharide Degradation. An Investigation by a Mixed Method: ONIOM (DFT/B3LYP/6 - 31 + G(d, p): AM1)
()
N’guessan Boka Robert
,
Bamba El Hadji Sawaliho
,
Koffi Kouassi Alain
Computational Chemistry
Vol.10 No.2
, April 29, 2022
DOI:
10.4236/cc.2022.102005
230
Downloads
731
Views
Citations
This article belongs to the Special Issue on
Quantitative Structure-Activity Relationship Study of a Benzimidazole-Derived Series Inhibiting
Mycobacterium tuberculosis H37Rv
()
Georges Stéphane Dembélé
,
Mamadou Guy-Richard Koné
,
Fandia Konate
,
Doh Soro
,
Nahossé Ziao
Computational Chemistry
Vol.10 No.2
, April 12, 2022
DOI:
10.4236/cc.2022.102004
190
Downloads
920
Views
Citations
This article belongs to the Special Issue on
Catechin and Epicatechin. What’s the More Reactive?
()
Essoh Akpa Eugène
,
N’guessan Boka Robert
,
Adenidji Ganiyou
,
Yapo Kicho Denis
,
Adjou Ané
,
Bamba El Hadji Sawaliho
Computational Chemistry
Vol.10 No.2
, March 11, 2022
DOI:
10.4236/cc.2022.102003
337
Downloads
2,122
Views
Citations
This article belongs to the Special Issue on
In Silico Docking of Rhodanine Derivatives and 3D-QSAR Study to Identify Potent Prostate Cancer Inhibitors
()
Koffi Alexis Respect Kouassi
,
Adenidji Ganiyou
,
Diomande Gbe Gondo Didier
,
Anoubilé Benié
,
Ziao Nahossé
Computational Chemistry
Vol.10 No.2
, February 18, 2022
DOI:
10.4236/cc.2022.102002
246
Downloads
1,206
Views
Citations
This article belongs to the Special Issue on
Comparison of Molecular Properties (Stabilities, Reactivity and Interaction) of Manzamenones and Two Antimalarial Drugs (Quinine and Artemisinin) Using Mixed Method Calculations (ONIOM) and DFT (B3LYP)
()
Atse Adepo Jacques
,
Kone Soleymane
,
Diomande Sékou
,
Bamba El-Hadji Sawaliho
Computational Chemistry
Vol.10 No.1
, January 27, 2022
DOI:
10.4236/cc.2022.101001
201
Downloads
855
Views
Citations
This article belongs to the Special Issue on
A Quantum Chemical Screening of Two Imidazole-Chalcone Hybrid Ligands and Their Pd, Pt and Zn Complexes for Charge Transport and Nonlinear Optical (NLO) Properties: A DFT Study
()
Fritzgerald Kogge Bine
,
Numbonui Stanley Tasheh
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.4
, October 19, 2021
DOI:
10.4236/cc.2021.94012
251
Downloads
883
Views
Citations
This article belongs to the Special Issue on
Computational Study of the Interactions between Antimalarial Chemotherapies with Folate Pathway Receptors and Telomerase Reverse Transcriptase
()
Djogang Lucie Karelle
,
Forlemu Neville
,
Emadak Alphonse
,
Njabon Njankwa Eric
,
Issofa Patouossa
,
Nenwa Justin
Computational Chemistry
Vol.9 No.3
, July 26, 2021
DOI:
10.4236/cc.2021.93011
249
Downloads
983
Views
Citations
This article belongs to the Special Issue on
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT
()
Numbonui Stanley Tasheh
,
Aymard Didier Tamafo Fouegue
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.3
, July 14, 2021
DOI:
10.4236/cc.2021.93010
262
Downloads
1,383
Views
Citations
This article belongs to the Special Issue on
A Proposed Stereochemical Mechanism for the Improved Preparation of Maleic Anhydride Cycloadduct of CLA
()
Jieyu He
,
Jiashu Liao
,
Junyan Qu
Computational Chemistry
Vol.9 No.3
, July 14, 2021
DOI:
10.4236/cc.2021.93009
174
Downloads
666
Views
Citations
This article belongs to the Special Issue on
Application of the Screened Hydrogenic Model to Light Atoms
()
Robert W. Smithwick
Computational Chemistry
Vol.9 No.3
, June 3, 2021
DOI:
10.4236/cc.2021.93008
258
Downloads
935
Views
Citations
This article belongs to the Special Issue on
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