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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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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
28
Downloads
125
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
20
Downloads
89
Views
Citations
This article belongs to the Special Issue on
Theoretical Investigation on the Stability and Reactivity of Imidazo [1,2-a] Pyridine
N
-
Acylhydrazone
Derivatives Using Density Functional Theory
()
Camara Tchambaga Etienne
,
Sangare Kassoum
,
Dosso Ouehi
,
Ablo Evrard
,
Sekou Diomande
,
Souleymane Coulibaly
,
Siomenan Coulibali
Computational Chemistry
Vol.12 No.1
, January 31, 2024
DOI:
10.4236/cc.2024.121001
63
Downloads
266
Views
Citations
This article belongs to the Special Issue on
DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives
()
Mohammad Ahad Hossain
,
Shahin Sultana
,
Mohammad Mazherul Islam
,
Sonia Akhter
,
Faria Nur
,
Fatima Majabin
,
Kantom Islam
,
Kazi Jawad Hossain
,
Yasuhiro Ozeki
,
Sarkar M. A. Kawsar
Computational Chemistry
Vol.11 No.4
, October 31, 2023
DOI:
10.4236/cc.2023.114006
243
Downloads
832
Views
Citations
This article belongs to the Special Issue on
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
162
Downloads
766
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
226
Downloads
1,295
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
213
Downloads
888
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
105
Downloads
567
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
222
Downloads
1,011
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
168
Downloads
744
Views
Citations
This article belongs to the Special Issue on
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