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DNA Base Pairs Sensors: DFT, QTAIM and NCI-RDG Study
(Articles)
Nour Elyakine Amraoui
,
Dalila Hammoutène
Computational Chemistry
Vol.12 No.4
,October 31, 2024
DOI:
10.4236/cc.2024.124004
70
Downloads
429
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
4,889
Downloads
7,516
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
4,094
Downloads
6,768
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
454
Downloads
1,257
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
723
Downloads
2,240
Views
Citations
Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations
(Articles)
Ziran Chen
,
Yujin Zhang
,
Zhanrong He
,
Yonghua Guan
,
Yuan Li
,
Hongping Li
Computational Chemistry
Vol.8 No.4
,October 30, 2020
DOI:
10.4236/cc.2020.84005
495
Downloads
1,455
Views
Citations
DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten
(Articles)
Balqees Suliman Alshareef
Open Journal of Physical Chemistry
Vol.10 No.4
,November 6, 2020
DOI:
10.4236/ojpc.2020.104012
692
Downloads
2,114
Views
Citations
Redshift of Excitation Wavelength Caused by the Concentration of L-Tryptophan in Water: A Theoretical and Experimental Study
(Articles)
Diana Milena Uriza-Prias
,
Antonio Méndez-Blas
,
Juan Francisco Rivas-Silva
Open Journal of Physical Chemistry
Vol.11 No.2
,May 26, 2021
DOI:
10.4236/ojpc.2021.112005
434
Downloads
2,245
Views
Citations
Investigation of the Antioxidant and UV Absorption Properties of 2-(2’-hydroxy-5’-methylphenyl)-benzotriazole and Its Ortho-Substituted Derivatives via DFT/TD-DFT
(Articles)
Numbonui Stanley Tasheh
,
Aymard Didier Tamafo Fouegue
,
Julius Numbonui Ghogomu
Computational Chemistry
Vol.9 No.3
,July 14, 2021
DOI:
10.4236/cc.2021.93010
359
Downloads
1,792
Views
Citations
Predictions of Electronic, Transport, and Structural Properties of Magnesium Sulfide (MgS) in the Rocksalt Structure
(Articles)
Uttam Bhandari
,
Cheick Oumar Bamba
,
Yuriy Malozovsky
,
La Shounda Franklin
,
Diola Bagayoko
Journal of Modern Physics
Vol.9 No.9
,August 8, 2018
DOI:
10.4236/jmp.2018.99111
1,337
Downloads
2,816
Views
Citations
The Effective Chiral Model of Quantum Hadrodynamics Applied to Nuclear Matter and Neutron Stars
(Articles)
Hiroshi Uechi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32017
4,836
Downloads
5,720
Views
Citations
A Density Functional Theory Study of Methoxy and Atomic Hydrogen Chemisorption on Au(100) Surface
(Articles)
M. N’dollo
,
P. S. Moussounda
,
T. Dintzer
,
F. Garin
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A057
5,759
Downloads
8,972
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
First Principles Investigation of the Structure and Properties of Superconducting Cubic Protactinium Hydride PaH
3
(Articles)
Tao Liu
,
Tao Gao
Journal of Applied Mathematics and Physics
Vol.11 No.4
,April 28, 2023
DOI:
10.4236/jamp.2023.114073
151
Downloads
485
Views
Citations
Functionals and Functional Derivatives of Wave Functions and Densities
(Articles)
A. Gonis
World Journal of Condensed Matter Physics
Vol.4 No.3
,August 29, 2014
DOI:
10.4236/wjcmp.2014.43022
4,354
Downloads
7,293
Views
Citations
Research on the English Translation Methods of Government Texts from the Perspective of Functional Equivalence Theory
(Articles)
Junye Li
,
Lijun Wang
Open Access Library Journal
Vol.9 No.6
,June 23, 2022
DOI:
10.4236/oalib.1108863
375
Downloads
2,490
Views
Citations
Density functional theory studies on the structure, vibrational spectra of three new tetrahalogenoferrate (III) complexes
(Articles)
Shahriare Ghammamy
,
Kheyrollah Mehrani
,
Somayyeh Rostamzadehmansor
,
Hajar Sahebalzamani
Natural Science
Vol.3 No.8
,August 3, 2011
DOI:
10.4236/ns.2011.38091
5,497
Downloads
10,873
Views
Citations
Variational Principle in the Quantum Statistical Theory
(Articles)
Eduard A. Arinshteyn
Journal of Modern Physics
Vol.5 No.14
,August 22, 2014
DOI:
10.4236/jmp.2014.514128
2,721
Downloads
3,871
Views
Citations
Effect of Hydrogen in Adsorption and Direct Dissociation of CO on Fe (100) Surface: A DFT Study
(Articles)
Sebastián Amaya-Roncancio
,
Daniel Humberto Linares
,
Hélio Anderson Duarte
,
Germán Lener
,
Karim Sapag
American Journal of Analytical Chemistry
Vol.6 No.1
,January 9, 2015
DOI:
10.4236/ajac.2015.61004
4,086
Downloads
5,492
Views
Citations
This article belongs to the Special Issue on
Adsorption Science and Technology
Forecasting Density Function: Application in Finance
(Articles)
Rituparna Sen
,
Changie Ma
Journal of Mathematical Finance
Vol.5 No.5
,November 26, 2015
DOI:
10.4236/jmf.2015.55037
4,830
Downloads
6,737
Views
Citations
This article belongs to the Special Issue on
Density Estimation in Finance
Development of the Orbital-Free Density Functional Approach: The Problem of Angles between Covalent Bonds
(Articles)
Victor G. Zavodinsky
,
Olga A. Gorkusha
Modeling and Numerical Simulation of Material Science
Vol.6 No.2
,March 28, 2016
DOI:
10.4236/mnsms.2016.62002
2,575
Downloads
3,542
Views
Citations
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