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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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Design of New Thiadiazole Derivatives with Improved Antidiabetic Activity
()
Chiépi Nadège Dominique Dou
,
Georges Stéphane Dembele
,
Mamadou Guy-Richard Kone
,
Nanou Tiéba Tuo
,
Fandia Konate
,
Adama Niare
,
Panaghiotis Karamanis
,
Nahossé Ziao
Computational Chemistry
Vol.11 No.3
, July 26, 2023
DOI:
10.4236/cc.2023.113005
46
Downloads
252
Views
Citations
This article belongs to the Special Issue on
Functionality of Covalent Organic Framework (COF) in Gas Storage Application: First Principal Study
()
Mashael Alharbi
,
Raghad Aljohani
,
Raghad Alzahrani
,
Yara Alsufyani
,
Nuha Alsmani
Computational Chemistry
Vol.11 No.3
, May 31, 2023
DOI:
10.4236/cc.2023.113004
77
Downloads
581
Views
Citations
This article belongs to the Special Issue on
A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA)
()
Md. Alauddin
,
Joya Datta Ripa
Computational Chemistry
Vol.11 No.2
, April 28, 2023
DOI:
10.4236/cc.2023.112003
70
Downloads
274
Views
Citations
This article belongs to the Special Issue on
Detailed Quantum Mechanical QSAR Analysis of Certain Aminopyrimidoisoquinolinequinones with Anticancer Activity
()
Mukhtaar Qaaed S. Sultan
,
Mohamed Osman El-Faki
,
Inas Osman Khojali Mohammed
Computational Chemistry
Vol.11 No.1
, January 20, 2023
DOI:
10.4236/cc.2023.111002
47
Downloads
333
Views
Citations
This article belongs to the Special Issue on
Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models
()
Josué de Jesus Oliveira Araújo
,
Ricardo Morais de Miranda
,
Jeferson Stiver Oliveira de Castro
,
Antonio Florêncio de Figueiredo
,
Ana Cecília Barbosa Pinheiro
,
Sílvia Simone dos Santos Morais
,
Marcos Antonio Barros dos Santos
,
Andréia de Lourdes Ribeiro Pinheiro
,
Andréia de Lourdes Ribeiro Pinheiro
,
Fábio dos Santos Gil
,
Heriberto Rodrigues Bitencourt
,
Gustavo Nery Ramos Alves
,
José Ciríaco Pinheiro
Computational Chemistry
Vol.11 No.1
, December 1, 2022
DOI:
10.4236/cc.2023.111001
137
Downloads
647
Views
Citations
This article belongs to the Special Issue on
Prediction of Anti-Inflammatory Activity of a Series of Pyrimidine Derivatives, by Multiple Linear Regression and Artificial Neural Networks
()
Yafigui Traoré
,
Jean Missa Ehouman
,
Mamadou Guy-Richard Koné
,
Donourou Diabaté
,
Nahossé Ziao
Computational Chemistry
Vol.10 No.4
, October 28, 2022
DOI:
10.4236/cc.2022.104009
82
Downloads
421
Views
Citations
This article belongs to the Special Issue on
Vibrational Spectroscopic Investigations, Electronic Properties, Molecular Structure and Quantum Mechanical Study of an Antifolate Drug: Pyrimethamine
()
Pélagie Manwal A Mekoung
,
Bel Youssouf G. Mountessou
,
Maraf B. Mbah
,
Martin Signe
,
Auguste Abouem A Zintchem
,
Charles P. N. Nanseu
,
Ibrahim N. Mbouombouo
Computational Chemistry
Vol.10 No.4
, September 9, 2022
DOI:
10.4236/cc.2022.104008
124
Downloads
702
Views
Citations
This article belongs to the Special Issue on
Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]
()
Bamba El Hadji Sawaliho
,
N’Guessan Boka Robert
Computational Chemistry
Vol.10 No.4
, August 31, 2022
DOI:
10.4236/cc.2022.104007
87
Downloads
399
Views
Citations
This article belongs to the Special Issue on
A Statistical Evaluation of Uncoupling Protein 1 in the Limited Area of Brown Adipose Tissue by Immunoelectron Microscopy
()
Xiaomin Dong
,
Seiichi Chiba
,
Tatsuo Shimada
,
Fumihiko Hamada
Computational Chemistry
Vol.10 No.3
, July 29, 2022
DOI:
10.4236/cc.2022.103006
98
Downloads
500
Views
Citations
This article belongs to the Special Issue on
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
171
Downloads
612
Views
Citations
This article belongs to the Special Issue on
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