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Affiliation
ISSN
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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
6,090
Downloads
10,342
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
3,922
Downloads
9,724
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
541
Downloads
1,311
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
4,530
Downloads
8,661
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
6,301
Downloads
13,828
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
3,248
Downloads
5,234
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
8,921
Downloads
20,564
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
5,155
Downloads
7,847
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
1,910
Downloads
3,635
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
396
Downloads
1,117
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
700
Downloads
1,539
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
4,582
Downloads
8,772
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
3,508
Downloads
7,090
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
5,054
Downloads
8,845
Views
Citations
Theoretical Study of the Structure and Vibrational Spectrum of [Zn(2-Aminothiazole)
2
Cl
2
]
(Articles)
Rumyana Yankova
Open Access Library Journal
Vol.2 No.9
,September 10, 2015
DOI:
10.4236/oalib.1101864
619
Downloads
1,134
Views
Citations
[Azo-Hyd] Tautomerism and Structure of Selected Metal Complex Dyes AM1 and ZINDO/1 Methods
(Articles)
Krzysztof Wojciechowski
,
Lucjan Szuster
Computational Chemistry
Vol.4 No.4
,October 19, 2016
DOI:
10.4236/cc.2016.44010
2,026
Downloads
3,941
Views
Citations
Reactivity of N-Methylidenemalonates of 3-Arylaminoindoles and p-Dimethylamino-N-Phenylaniline in the Course of Their Analysis by Electrospray Ionization Mass Spectrometry
(Articles)
Yuri S. Nekrasov
,
Nikolai S. Ikonnikov
,
Yuri A. Borisov
,
Sergey S. Kiselev
,
Albert G. Kornienko
,
Valeriya S. Velezheva
,
Yury I. Lyakhovetsky
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.5 No.1
,February 13, 2017
DOI:
10.4236/ijamsc.2017.51001
1,853
Downloads
3,213
Views
Citations
Theoretical and Experimental Study of Reaction of Transesterification of Vegetable Oils in an Alcohol Environment in the SbCF and SCF Conditions with the Ultrasonic Emulsification of Reaction Mixture and the Use of Heterogeneous Catalysts
(Articles)
Farid Mukhamedovich Gumerov
,
Rustem Aituganovich Usmanov
,
Sergei Valerevich Mazanov
,
Asiya Radifovna Gabitova
,
Alexandre Ivanovich Kourdiyukov
,
Zufar Ibragimovich Zaripov
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.5 No.2
,June 30, 2017
DOI:
10.4236/ijamsc.2017.52003
1,201
Downloads
2,150
Views
Citations
This article belongs to the Special Issue on
Supercritical Fluids: Supercritical Fluid Extraction (SFE) and Supercritical Fluid Chromatography (SFC)
Isolation of Nanocellulose from Cotton Cellulose and Computer Modeling of Its Structure
(Articles)
Abdumutolib Atakhanov
,
Islom Turdikulov
,
Burhon Mamadiyorov
,
Nodira Abdullaeva
,
Ilnar Nurgaliev
,
Yunusov Khaydar
,
Sayora Rashidova
Open Journal of Polymer Chemistry
Vol.9 No.4
,November 5, 2019
DOI:
10.4236/ojpchem.2019.94010
875
Downloads
2,988
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
474
Downloads
1,560
Views
Citations
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