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DOI
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Journal
Affiliation
ISSN
Subject
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
4,175
Downloads
6,837
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
5,045
Downloads
8,828
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
4,520
Downloads
7,188
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
5,599
Downloads
9,097
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
3,923
Downloads
5,772
Views
Citations
Quantum Chemical Studies on the Corrosion Inhibition of Mild Steel by Piperidin-4-One Derivatives in 1 M H
3
PO
4
(Articles)
Kalaiselvi Kathirvel
,
Brindha Thirumalairaj
,
Mallika Jaganathan
Open Journal of Metal
Vol.4 No.4
,October 30, 2014
DOI:
10.4236/ojmetal.2014.44009
4,189
Downloads
6,279
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
4,213
Downloads
5,684
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
1,650
Downloads
2,707
Views
Citations
This article belongs to the Special Issue on
Metal Complexes
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
1,180
Downloads
2,259
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
1,044
Downloads
2,799
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
1,118
Downloads
2,186
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
766
Downloads
2,139
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
580
Downloads
1,573
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
348
Downloads
867
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
226
Downloads
1,428
Views
Citations
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
140
Downloads
736
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
104
Downloads
656
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
4,749
Downloads
7,430
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
3,963
Downloads
6,608
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
1,108
Views
Citations
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