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DOI
Author
Journal
Affiliation
ISSN
Subject
A First Principles Investigation of the Mechanical Properties of g-TlN
(Articles)
Qing Peng
,
Chao Liang
,
Wei Ji
,
Suvranu De
Modeling and Numerical Simulation of Material Science
Vol.2 No.4
,October 22, 2012
DOI:
10.4236/mnsms.2012.24009
5,609
Downloads
12,604
Views
Citations
Dimensionality Effects in Dipolar Fluids: A Density Functional Theory Study
(Articles)
Remi Geiger
,
Sabine H. L. Klapp
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A056
4,192
Downloads
6,772
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical
(Articles)
Eisuke Shimizu
,
Ryota Hoshino
,
Kazuya Nomura
,
Victor I. Danilov
,
Noriyuki Kurita
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A062
5,054
Downloads
8,652
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Theoretical investigation of the dispersion interaction in argon dimer and trimer
(Articles)
Abdullah H. Quasti
,
Walid I. Hassan
Journal of Biophysical Chemistry
Vol.4 No.2
,May 24, 2013
DOI:
10.4236/jbpc.2013.42013
4,534
Downloads
6,913
Views
Citations
The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study
(Articles)
Jair Gaviria
,
Claudia G. García
,
Ederley Vélez
,
Jairo Quijano
Modeling and Numerical Simulation of Material Science
Vol.3 No.4
,October 15, 2013
DOI:
10.4236/mnsms.2013.34021
5,654
Downloads
8,216
Views
Citations
Two-water-assisted racemization of the succinimide intermediate formed in proteins. A computational model study
(Articles)
Ohgi Takahashi
Health
Vol.5 No.12
,December 18, 2013
DOI:
10.4236/health.2013.512273
3,941
Downloads
5,618
Views
Citations
First Principles Study of the Structural and Electronic Properties of the ZnO/Cu
2
O Heterojunction
(Articles)
Mabrouk Zemzemi
,
Sahbi Alaya
Materials Sciences and Applications
Vol.6 No.7
,July 16, 2015
DOI:
10.4236/msa.2015.67068
4,331
Downloads
6,168
Views
Citations
A Theoretical Study of
β
-Amino Acid Conformational Energies and Solvent Effect
(Articles)
Victor F. Waingeh
,
Felix N. Ngassa
,
Jie Song
Open Journal of Physical Chemistry
Vol.5 No.4
,November 12, 2015
DOI:
10.4236/ojpc.2015.54013
4,229
Downloads
5,485
Views
Citations
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
1,665
Downloads
2,678
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
1,572
Downloads
2,784
Views
Citations
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
1,194
Downloads
2,212
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
1,131
Downloads
2,039
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
628
Downloads
1,383
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
523
Downloads
1,055
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
789
Downloads
1,940
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
597
Downloads
1,486
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
365
Downloads
816
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
251
Downloads
1,383
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
161
Downloads
725
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
160
Downloads
730
Views
Citations
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