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Abstract
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DOI
Author
Journal
Affiliation
ISSN
Subject
Theoretical Insights Elucidate Novel Active Phosphonate Esters—Cephalosporin Antibiotics’ Intermediate
(Articles)
Youmin Sun
,
Huixue Ren
,
Xiaofeng Wei
,
Guiqin Zhang
Open Journal of Inorganic Chemistry
Vol.6 No.4
,October 17, 2016
DOI:
10.4236/ojic.2016.64017
1,651
Downloads
2,711
Views
Citations
This article belongs to the Special Issue on
Metal Complexes
Accurate Electronic, Transport, and Bulk Properties of Zinc Blende Gallium Arsenide (Zb-GaAs)
(Articles)
Yacouba Issa Diakite
,
Sibiri D. Traore
,
Yuriy Malozovsky
,
Bethuel Khamala
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.4
,March 20, 2017
DOI:
10.4236/jmp.2017.84035
1,559
Downloads
2,903
Views
Citations
Ab-Initio
Computations of Electronic, Transport, and Structural Properties of
zinc-blende
Beryllium Selenide (
zb
-BeSe)
(Articles)
Richard Inakpenu
,
Cheick Bamba
,
Ifeanyi H. Nwigboji
,
Lashounda Franklin
,
Yuriy Malozovsky
,
Guang-Lin Zhao
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.4
,March 20, 2017
DOI:
10.4236/jmp.2017.84037
1,560
Downloads
2,551
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Surface Properties of Novel Surfactant, Dihexadecyl Gemini Phosphate, Monolayers on Water Surface by Dropping Method
(Articles)
Yusuke Kobayashi
,
Takahiko Amano
,
Keijiro Taga
,
Yasushi Yamamoto
,
Zameer Shervani
,
Masato Yamamoto
Journal of Biophysical Chemistry
Vol.8 No.4
,November 3, 2017
DOI:
10.4236/jbpc.2017.84004
1,182
Downloads
2,265
Views
Citations
Elucidating the Chemisorption Phenomena in SERS Studies via Computational Modeling
(Articles)
Yvonne E. Ejorh
,
William H. Ilsley
,
Beng Guat Ooi
Optics and Photonics Journal
Vol.8 No.6
,June 27, 2018
DOI:
10.4236/opj.2018.86019
1,047
Downloads
2,805
Views
Citations
Different Interaction Mechanisms of Evaporated Porphyrin Films Exposed to NO
2
(Articles)
M. Rivera
,
M. Rivera
,
J. M. Rivera
,
O. Amelines-Sarria
,
Y. A. Wang
Advances in Materials Physics and Chemistry
Vol.8 No.11
,November 16, 2018
DOI:
10.4236/ampc.2018.811030
1,119
Downloads
2,190
Views
Citations
Ab-Initio
Computations of Electronic, Transport, and Related Properties of Chromium Disilicide (CrSi
2
)
(Articles)
Shaibu Onuche Mathias
,
Yuriy Malozovsky
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.9 No.14
,December 20, 2018
DOI:
10.4236/jmp.2018.914158
622
Downloads
1,501
Views
Citations
Quantum-Chemical Estimating Interaction of
sp
2
-Carbon Nanoclusters with PE and PP Oligomers
(Articles)
Mykola Kartel
,
Euvgeniy Demianenko
,
Оksana Сherniuk
,
Mariya Terets
,
Yurii Sementsov
,
Bo Wang
Journal of Materials Science and Chemical Engineering
Vol.7 No.7
,July 10, 2019
DOI:
10.4236/msce.2019.77001
512
Downloads
1,140
Views
Citations
A Density Functional Theory (DFT) Investigation on the Structure and Spectroscopic Behavior of 2-Aminoterephthalic Acid and Its Sodium Salts
(Articles)
Mohammad A. Matin
,
Samiran Bhattacharjee
,
Md. Aftab Ali Shaikh
,
Tapas Debnath
,
Mohammed Abdul Aziz
Green and Sustainable Chemistry
Vol.10 No.2
,March 11, 2020
DOI:
10.4236/gsc.2020.102004
767
Downloads
2,147
Views
Citations
Ab-Initio
Self-Consistent Density Functional Theory Description of Rock-Salt Magnesium Selenide (MgSe)
(Articles)
Blaise Awola Ayirizia
,
Yuriy Malozovsky
,
Lashounda Franklin
,
Uttam Bhandari
,
Diola Bagayoko
Materials Sciences and Applications
Vol.11 No.7
,June 30, 2020
DOI:
10.4236/msa.2020.117027
581
Downloads
1,579
Views
Citations
Theoretical Studies of Photodynamic Therapy Properties of Azopyridine
δ
-OsCl
2
(Azpy)
2
Complex as a Photosensitizer by a TDDFT Method
(Articles)
Wawohinlin Patrice Ouattara
,
Kafoumba Bamba
,
Affi Sopi Thomas
,
Fatogoma Diarrassouba
,
Lamoussa Ouattara
,
Massapihanhoro Pierre Ouattara
,
Kouakou Nobel N'guessan
,
Mamadou Guy Richard Kone
,
Charles Guillaume Kodjo
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,January 22, 2021
DOI:
10.4236/cc.2021.91004
350
Downloads
873
Views
Citations
The Effects of Oxidation States and Spin States of Chromium Interaction with
Sargassum Sp
.: A Spectroscopic and Density Functional Theoretical Study
(Articles)
Mohammad Abdul Matin
,
Md. Aftab Ali Shaikh
,
Md. Anwar Hossain
,
Md. Alauddin
,
Tapas Debnath
,
Mohammed Abdul Aziz
Green and Sustainable Chemistry
Vol.11 No.4
,November 17, 2021
DOI:
10.4236/gsc.2021.114011
228
Downloads
1,438
Views
Citations
Ab Initio Calculation of Accurate Electronic and Transport Properties of Zinc Blende Gallium Antimonide (zb-GaSb)
(Articles)
Yacouba Issa Diakite
,
Yuriy Malozovsky
,
Cheick Oumar Bamba
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.13 No.4
,April 19, 2022
DOI:
10.4236/jmp.2022.134029
149
Downloads
743
Views
Citations
This article belongs to the Special Issue on
Semiconductor Physics
Molecular Modeling and Antimicrobial Screening Studies on Some 3-Aminopyridine Transition Metal Complexes
(Articles)
Islam M. I. Moustafa
,
Naglaa M. Mohamed
,
Sahar M. Ibrahim
Open Journal of Inorganic Chemistry
Vol.12 No.3
,July 29, 2022
DOI:
10.4236/ojic.2022.123003
141
Downloads
745
Views
Citations
Combining Experimental and Quantum Chemical Study of 2-(5-Nitro-1,3-Dihydro Benzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-yl) Propanenitrile as Copper Corrosion Inhibitor in Nitric Acid Solution
(Articles)
Mougo André Tigori
,
Aboudramane Koné
,
Bamba Souleymane
,
Doumadé Zon
,
Drissa Sissouma
,
Paulin Marius Niamien
Open Journal of Physical Chemistry
Vol.12 No.4
,November 29, 2022
DOI:
10.4236/ojpc.2022.124004
105
Downloads
659
Views
Citations
Insight of Natural Compounds Halimane Diterpenoids against
Mycobacterium tuberculosis
: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach
(Articles)
Laurent Gael Eyia Andiga
,
Boris Davy Bekono
,
Désiré Mama Bikele
,
Pie Pascal Onguéné Amoa
,
Luc Calvin Owono Owono
,
Luc Léonard Mbaze Meva’a
Computational Molecular Bioscience
Vol.14 No.2
,May 7, 2024
DOI:
10.4236/cmb.2024.142003
17
Downloads
62
Views
Citations
Surface Photografting of Novel Sulfobetaine Copolymers on Silica
(Articles)
Abhishek Kumar
,
Nazia Tarannum
,
Meenakshi Singh
Materials Sciences and Applications
Vol.3 No.7
,July 19, 2012
DOI:
10.4236/msa.2012.37066
4,755
Downloads
7,438
Views
Citations
Investigation of electronic structure of Nd
2
O
3
: Experiment and theory
(Articles)
Fareed Majeed Mohammad
,
Abdulhadi Mirdan Ghaleb
,
Sahariya Jagrati
,
Babu Lal Ahuja
,
Kailash Chandra Bhamu
Natural Science
Vol.4 No.10
,October 31, 2012
DOI:
10.4236/ns.2012.410106
3,964
Downloads
6,612
Views
Citations
The Chiral Dirac-Hartree-Fock Approximation in QHD with Scalar Vertex Corrections
(Articles)
Hiroshi Uechi
Open Access Library Journal
Vol.5 No.7
,July 24, 2018
DOI:
10.4236/oalib.1104739
413
Downloads
1,110
Views
Citations
Investigation of Structural and Electronic Properties of [Tris(Benzene-1,2-Dithiolato)M]
3-
(M = V, Cr, Mn, Fe and Co) Complexes: A Spectroscopic and Density Functional Theoretical Study
(Articles)
Mohammad A. Matin
,
Md. Abdur Rahman
Advances in Chemical Engineering and Science
Vol.9 No.4
,October 9, 2019
DOI:
10.4236/aces.2019.94023
586
Downloads
1,903
Views
Citations
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