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Affiliation
ISSN
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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
3,641
Views
Citations
Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of
Emilia sonchifolia
Leaf Extract for Copper (CU131729) in Hydrochloric Acid
(Articles)
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
480
Downloads
1,572
Views
Citations
First Principles Calculation of Magnetic Resonance Properties of Cu
2-
δ
X (X = Se, S, Te)
(Articles)
Zhipeng Shao
,
Chenglong Shi
Journal of Applied Mathematics and Physics
Vol.9 No.6
,June 17, 2021
DOI:
10.4236/jamp.2021.96085
243
Downloads
834
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
3,925
Downloads
9,730
Views
Citations
The Magnetic Field Effects on Radially Symmetric Core-Shell-Shell Structure
(Articles)
Hamidreza Simchi
,
Mahdi Smaeilzadeh
,
Mehdi H. Saani
Optics and Photonics Journal
Vol.1 No.1
,March 16, 2011
DOI:
10.4236/opj.2011.11002
4,719
Downloads
10,657
Views
Citations
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
1,315
Views
Citations
Bonding Characteristics of TiC and TiN
(Articles)
Kuiying Chen
,
Sami Kamran
Modeling and Numerical Simulation of Material Science
Vol.3 No.1
,January 21, 2013
DOI:
10.4236/mnsms.2013.31002
10,018
Downloads
16,955
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
4,531
Downloads
8,663
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
6,307
Downloads
13,837
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
5,245
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
8,935
Downloads
20,593
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
5,183
Downloads
7,898
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
397
Downloads
1,119
Views
Citations
Thermodynamic Equilibrium of the Saturated Fluid with a Free Surface Area and the Internal Energy as a Function of the Phase-Specific Volumes and Vapor Pressure
(Articles)
Albrecht Elsner
Engineering
Vol.7 No.9
,September 25, 2015
DOI:
10.4236/eng.2015.79053
2,525
Downloads
3,431
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
1,540
Views
Citations
Planck’s Oscillators at Low Temperatures and Haken’s Perturbation Approach to the Quantum Oscillators Reconsidered
(Articles)
Stanisław Olszewski
Journal of Modern Physics
Vol.12 No.12
,October 28, 2021
DOI:
10.4236/jmp.2021.1212100
129
Downloads
534
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
6,097
Downloads
10,351
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
4,585
Downloads
8,777
Views
Citations
Crystal and Molecular Structure, and Spectral Characteristics of Sodium 3,5-Bis(Hydroxyimino)-1-Methyl-2,4,6-Trioxocyclohexanide
(Articles)
Olga Kovalchukova
,
Nguyen Dinh Do
,
Adam Stash
,
Vitaly Bel’sky
,
Paul Strashnov
,
Andrew Alafinov
,
Oleg Volyansky
,
Svetlana Strashnova
,
Konstantin Kobrakov
Crystal Structure Theory and Applications
Vol.1 No.3
,December 25, 2012
DOI:
10.4236/csta.2012.13009
3,510
Downloads
7,095
Views
Citations
Synthesis, Spectroscopic Investigations, Quantum Chemical Studies (
Ab-initio
& DFT) and Antimicrobial Activities of 3-(3-Chloro-4,5-dimethoxy-phenyl)-1-(4, 5-dimethoxy-2-methyl-Phenyl) prop-2-en-1-one
(Articles)
Urmila H. Patel
,
Sahaj A. Gandhi
,
Vijay M. Barot
,
Mitesh C. Patel
Crystal Structure Theory and Applications
Vol.2 No.4
,December 24, 2013
DOI:
10.4236/csta.2013.24023
5,059
Downloads
8,856
Views
Citations
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