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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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Comparative Theoretical Studies of the Reactivity and Stability of Selected Groups of Isomers with Carbon-Oxygen and Carbon-Nitrogen Bonds
()
Issofa Patouossa
,
Eric N. Njabon
,
Alphonse Emadak
,
Naomi Zshika
Computational Chemistry
Vol.9 No.2
, April 30, 2021
DOI:
10.4236/cc.2021.92007
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This article belongs to the Special Issue on
Theoretical Determination of Influence of the Metallic State of Oxidation toward Cytotoxic Activity: Case of Ruthenium Complexes
()
Bamba Kafoumba
,
Ouattara Wawohinlin Patrice
,
Diarrassouba Fatogoma
,
Lamoussa Ouattara
,
Massapihanhoro Pierre Ouattara
,
Kouakou Nobel N’guessan
,
Ehouman Ahissan Donatien
,
Ziao Nahossé
Computational Chemistry
Vol.9 No.2
, April 30, 2021
DOI:
10.4236/cc.2021.92006
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This article belongs to the Special Issue on
Hydrogen Bonds Sites of Amylose or Amylopectin from Starch at the ONION Level (B3LYP/6-311++G [d, p]: AM1)
()
Ablé Anoh Valentin
,
N’Guessan Boka Robert
,
Bamba El Hadji Sawaliho
Computational Chemistry
Vol.9 No.1
, January 25, 2021
DOI:
10.4236/cc.2021.91005
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This article belongs to the Special Issue on
Theoretical Studies of Photodynamic Therapy Properties of Azopyridine
δ
-OsCl
2
(Azpy)
2
Complex as a Photosensitizer by a TDDFT Method
()
Wawohinlin Patrice Ouattara
,
Kafoumba Bamba
,
Affi Sopi Thomas
,
Fatogoma Diarrassouba
,
Lamoussa Ouattara
,
Massapihanhoro Pierre Ouattara
,
Kouakou Nobel N'guessan
,
Mamadou Guy Richard Kone
,
Charles Guillaume Kodjo
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
, January 22, 2021
DOI:
10.4236/cc.2021.91004
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This article belongs to the Special Issue on
Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies
()
Fritzgerald Kogge Bine
,
Stanley Numbonui Tasheh
,
Nyiang Kennet Nkungli
Computational Chemistry
Vol.9 No.1
, January 5, 2021
DOI:
10.4236/cc.2021.91003
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This article belongs to the Special Issue on
Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of
Emilia sonchifolia
Leaf Extract for Copper (CU131729) in Hydrochloric Acid
()
Raphael S. Oguike
,
Omolara Oni
,
Aisha U. Barambu
,
Davoud Balarak
,
Toma Buba
,
Chioma U. Okeke
,
Lawrence S. Momoh
,
Shakede Onimisi
,
Williams J. Nwada
Computational Chemistry
Vol.9 No.1
, December 7, 2020
DOI:
10.4236/cc.2021.91002
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This article belongs to the Special Issue on
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
()
Bibata Konate
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
, December 4, 2020
DOI:
10.4236/cc.2021.91001
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This article belongs to the Special Issue on
Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations
()
Ziran Chen
,
Yujin Zhang
,
Zhanrong He
,
Yonghua Guan
,
Yuan Li
,
Hongping Li
Computational Chemistry
Vol.8 No.4
, October 30, 2020
DOI:
10.4236/cc.2020.84005
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This article belongs to the Special Issue on
In Situ
Characterization of Lopinavir by ATR-FTIR Biospectroscopy
()
Alireza Heidari
Computational Chemistry
Vol.8 No.3
, July 14, 2020
DOI:
10.4236/cc.2020.83004
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This article belongs to the Special Issue on
Activity Trends in Desoxy Anthrapyrazoles: The Influence of Molar Volume, Polarizability and Lipophilicity of N
2
C
5
Side Chains on Their Anticancer Response
()
Howida A. Hashim
,
Mohamed Osman M. A. El-Fakii
,
Ahmed Elsadig M. Saeed
Computational Chemistry
Vol.8 No.2
, March 3, 2020
DOI:
10.4236/cc.2020.82003
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This article belongs to the Special Issue on
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