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DOI
Author
Journal
Affiliation
ISSN
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Accurate, First-Principle Study of Electronic and Related Properties of the Ground State of Li
2
Se
(Articles)
Abdoulaye Goita
,
Feng Gao
,
Ifeanyi H. Nwigboji
,
Yuriy Malozovsky
,
Lashounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.10 No.8
,July 9, 2019
DOI:
10.4236/jmp.2019.108060
671
Downloads
1,261
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Imaginary Time Density Functional Calculation of Ground States of Atoms Using CWDVR Approach
(Articles)
Naranchimeg Davgiikhorol
,
Munkhsaikhan Gonchigsuren
,
Khenmedekh Lochin
,
Sukh Ochir
,
Tsogbadrakh Namsrai
Journal of Modern Physics
Vol.10 No.9
,August 6, 2019
DOI:
10.4236/jmp.2019.109073
757
Downloads
1,640
Views
Citations
Computational Analysis of a Series of Chlorinated Chalcone Derivatives
(Articles)
Bradley O. Ashburn
Computational Chemistry
Vol.7 No.4
,October 16, 2019
DOI:
10.4236/cc.2019.74008
690
Downloads
2,062
Views
Citations
Inhibition Performance of Some Sulfonylurea on Copper Corrosion in Nitric Acid Solution Evaluated Theoretically by DFT Calculations
(Articles)
Mougo André Tigori
,
Amadou Kouyaté
,
Victorien Kouakou
,
Paulin Marius Niamien
,
Albert Trokourey
Open Journal of Physical Chemistry
Vol.10 No.3
,August 3, 2020
DOI:
10.4236/ojpc.2020.103008
524
Downloads
1,428
Views
Citations
Hydrogen Adsorption Mechanism of SiC Nanocones
(Articles)
M. A. Al-Khateeb
,
A. A. El-Barbary
Graphene
Vol.9 No.1
,January 31, 2020
DOI:
10.4236/graphene.2020.91001
453
Downloads
1,405
Views
Citations
Exchange-Correlation Functional Comparison of Electronic Energies in Atoms Using a Grid Basis
(Articles)
Anthony D. Ryan
,
Andres Gama
,
Frank Felerski
,
William D. Parker
Journal of Applied Mathematics and Physics
Vol.10 No.11
,November 29, 2022
DOI:
10.4236/jamp.2022.1011225
80
Downloads
578
Views
Citations
Single Dose Effects of Pascoflair
®
on Current Source Density (CSD) of Human EEG
(Articles)
Wilfried Dimpfel
,
Klaus Koch
,
Gabriele Weiss
Neuroscience and Medicine
Vol.3 No.2
,June 8, 2012
DOI:
10.4236/nm.2012.32018
6,270
Downloads
11,059
Views
Citations
First Principle Study of the Structural and Piezoelectric Properties of Perovskite ZrTi(PbO
3
)
2
Materials for Naval SONAR
(Articles)
Owolabi Joshua Adeyemi
,
Gidado Mohammed Mawashi
,
Alhassan Shuaibu
,
Bamikole Johnson Akinade
,
Ugbe Raphael Ushiekpan
Journal of Applied Mathematics and Physics
Vol.7 No.2
,February 14, 2019
DOI:
10.4236/jamp.2019.72022
1,652
Downloads
3,271
Views
Citations
Modeling of the Chemico-Physical Process of Protonation of Molecules Entailing Some Quantum Chemical Descriptors
(Articles)
Sandip K. Rajak
,
Nazmul Islam
,
Dulal C. Ghosh
Journal of Quantum Information Science
Vol.1 No.2
,September 30, 2011
DOI:
10.4236/jqis.2011.12012
5,051
Downloads
10,409
Views
Citations
Structural and Electronic Properties of Bixo
3
(X = Mn, Fe, Cr)
(Articles)
Djillali Bensaid
,
Nour-Eddine Benkhettou
,
Ali Kourdassi
Journal of Modern Physics
Vol.2 No.7
,July 11, 2011
DOI:
10.4236/jmp.2011.27075
8,000
Downloads
17,517
Views
Citations
Quantification of Inositol Hexa-Kis Phosphate in Environmental Samples
(Articles)
Lynne P. Heighton
,
Merle Zimmerman
,
Clifford P. Rice
,
Eton E. Codling
,
John A. Tossell
,
Walter F. Schmidt
Open Journal of Soil Science
Vol.2 No.1
,March 28, 2012
DOI:
10.4236/ojss.2012.21009
4,695
Downloads
7,944
Views
Citations
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
5,587
Downloads
13,030
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
4,184
Downloads
6,856
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
5,048
Downloads
8,835
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
4,524
Downloads
7,202
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
5,606
Downloads
9,125
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
3,929
Downloads
5,785
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
4,197
Downloads
6,298
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
4,316
Downloads
6,497
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
4,218
Downloads
5,706
Views
Citations
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