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Affiliation
ISSN
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DFT-Based Prediction of Bioconcentration Factors of Polychlorinated Biphenyls in Fish Species Using Molecular Descriptors
(Articles)
Anil Kumar Soni
,
Pratibha Singh
,
Vishnu Kumar Sahu
Advances in Biological Chemistry
Vol.10 No.1
,February 6, 2020
DOI:
10.4236/abc.2020.101001
543
Downloads
1,333
Views
Citations
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and
Ab Initio
HF/6-311++G Levels
(Articles)
Ouanlo Ouattara
,
Nahossé Ziao
Computational Chemistry
Vol.5 No.1
,January 19, 2017
DOI:
10.4236/cc.2017.51004
1,910
Downloads
3,343
Views
Citations
Anticancer Activities and QSAR Study of Novel Agents with a Chemical Profile of Benzimidazolyl-Retrochalcone
(Articles)
Ouattara Mahama
,
Koné Aboudramane
,
Koné Soleymane
,
Collet Sylvain
,
Diomandé Sekou
,
Sissouma Drissa
Open Journal of Medicinal Chemistry
Vol.10 No.3
,August 17, 2020
DOI:
10.4236/ojmc.2020.103006
491
Downloads
1,777
Views
Citations
Detailed Quantum Mechanical QSAR Analysis of Certain Aminopyrimidoisoquinolinequinones with Anticancer Activity
(Articles)
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
78
Downloads
477
Views
Citations
Modeling of the Chemico-Physical Process of Protonation of Molecules Entailing Some Quantum Chemical Descriptors
(Articles)
Sandip K. Rajak
,
Nazmul Islam
,
Dulal C. Ghosh
Journal of Quantum Information Science
Vol.1 No.2
,September 30, 2011
DOI:
10.4236/jqis.2011.12012
5,039
Downloads
10,385
Views
Citations
Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations
(Short Report)
Todor Dudev
Computational Chemistry
Vol.2 No.2
,March 26, 2014
DOI:
10.4236/cc.2014.22003
3,928
Downloads
9,741
Views
Citations
Studies of the Chemical Reactivity of a Series of Rhodanine Derivatives by Approaches to Quantum Chemistry
(Articles)
Wacothon Karime Coulibaly
,
Jean Stéphane N’dri
,
Mamadou Guy-Richard Koné
,
Camille Déliko Dago
,
Christelle N’ta Ambeu
,
Jean-Pierre Bazureau
,
Nahossé Ziao
Computational Molecular Bioscience
Vol.9 No.3
,August 9, 2019
DOI:
10.4236/cmb.2019.93005
896
Downloads
2,120
Views
Citations
A quantum-chemical model of the inhibition mechanismof viral DNA HIV-1 replication by Iodine complexcompounds
(Articles)
Gulnara A. Yuldasheva
,
Georgii M. Zhidomirov
,
Aleksandr I. Ilin
Natural Science
Vol.3 No.7
,July 27, 2011
DOI:
10.4236/ns.2011.37080
4,533
Downloads
8,668
Views
Citations
Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin
(Articles)
Cleydson B. R. dos Santos
,
Cleison C. Lobato
,
Josinete B. Vieira
,
Davi S. B. Brasil
,
Alaan U. Brito
,
Williams J. C. Macêdo
,
José Carlos T. Carvalho
,
José C. Pinheiro
Computational Molecular Bioscience
Vol.3 No.3
,September 16, 2013
DOI:
10.4236/cmb.2013.33009
6,310
Downloads
13,840
Views
Citations
Interaction of Molecules of Phosphorus-Containing Inorganic Additives with Iron Surface: Quantum-Chemical Analysis and Tribotechnical Testing
(Articles)
Yuri F. Migal
,
Vladimir I. Kolesnikov
,
Maria A. Savenkova
,
Daria N. Solodovnikova
Advances in Materials Physics and Chemistry
Vol.3 No.6
,October 17, 2013
DOI:
10.4236/ampc.2013.36038
3,254
Downloads
5,246
Views
Citations
Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR
(Review)
Cleydson B. R. Santos
,
Cleison C. Lobato
,
Francinaldo S. Braga
,
Sílvia S. S. Morais
,
Cesar F. Santos
,
Caio P. Fernandes
,
Davi S. B. Brasil
,
Lorane I. S. Hage-Melim
,
Williams J. C. Macêdo
,
José C. T. Carvalho
Computational Molecular Bioscience
Vol.4 No.1
,March 14, 2014
DOI:
10.4236/cmb.2014.41001
8,937
Downloads
20,603
Views
Citations
The Genesis of the Quantum Theory of the Chemical Bond
(Articles)
Salvatore Esposito
,
Adele Naddeo
Advances in Historical Studies
Vol.3 No.5
,December 23, 2014
DOI:
10.4236/ahs.2014.35020
5,193
Downloads
7,918
Views
Citations
Synthesis and Evaluation of 4-Hydroxy Quinolinone Derivatives as Antioxidants of Lubricating Grease
(Articles)
Modather F. Hussein
,
Mostafa A. Ismail
,
Refaat A. El-Adly
International Journal of Organic Chemistry
Vol.6 No.4
,December 5, 2016
DOI:
10.4236/ijoc.2016.64021
1,913
Downloads
3,646
Views
Citations
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
(Articles)
Bibata Konate
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,December 4, 2020
DOI:
10.4236/cc.2021.91001
398
Downloads
1,121
Views
Citations
Quantum Mechanics as a Reactive Probabilistic System
(Articles)
Germano Resconi
,
Santanu Kumar Patro
,
Srecko Sorli Amrit
Journal of Applied Mathematics and Physics
Vol.7 No.3
,March 28, 2019
DOI:
10.4236/jamp.2019.73048
701
Downloads
1,542
Views
Citations
Theoretical Study by Density Functional Theory Method (DFT) of Stability, Tautomerism, Reactivity and Prediction of Acidity of Quinolein-4-One Derivatives
(Articles)
Affoué Lucie Bédé
,
Amon Benjamine Assoma
,
Kicho Denis Yapo
,
Mamadou Guy-Richard Koné
,
Soleymane Koné
,
Mawa Koné
,
Boka Robert N’Guessan
,
El-Hadji Sawaliho Bamba
Computational Chemistry
Vol.6 No.3
,July 25, 2018
DOI:
10.4236/cc.2018.63005
1,268
Downloads
3,626
Views
Citations
Genetic Divergence in Mango and Obtaining Minimum Efficient Descriptors
(Articles)
Sandra da Costa Preisigke
,
Adryellison Lemes de Campos
,
Nadsley Seraglio Souza
,
Leonarda Grillo Neves
,
Marco Antonio Aparecido Barelli
,
Petterson Baptista da Luz
,
Kelly Lana Araújo
,
Severino de Paiva Sobrinho
American Journal of Plant Sciences
Vol.4 No.12
,December 4, 2013
DOI:
10.4236/ajps.2013.412287
4,173
Downloads
5,787
Views
Citations
On the SDD and ISDD Indices
(Articles)
José Luis Palacios
Open Journal of Applied Sciences
Vol.14 No.2
,February 29, 2024
DOI:
10.4236/ojapps.2024.142033
30
Downloads
104
Views
Citations
Structure Analysis for Hydrate Models of Ethyleneimine Oligomer by Quantum Chemical Calculation
(Articles)
Minoru Kobayashi
,
Hisaya Sato
Pharmacology & Pharmacy
Vol.1 No.2
,November 5, 2010
DOI:
10.4236/pp.2010.12009
6,100
Downloads
10,355
Views
Citations
In silico
Study on Sulfated and Non-Sulfated Carbohydrate Chains from Proteoglycans in
Cnidaria
and Interaction with Collagen
(Articles)
Thomas Eckert
,
Sabine Stötzel
,
Monika Burg-Roderfeld
,
Judith Sewing
,
Thomas Lütteke
,
Nikolay E. Nifantiev
,
Johannes F. G. Vliegenthart
,
Hans-Christian Siebert
Open Journal of Physical Chemistry
Vol.2 No.2
,May 22, 2012
DOI:
10.4236/ojpc.2012.22017
4,587
Downloads
8,779
Views
Citations
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