Login
Login
切换导航
Home
Articles
Journals
Books
News
About
Services
Submit
Home
Journal
Articles
Journals A-Z
Browse Subjects
Biomedical & Life Sci.
Business & Economics
Chemistry & Materials Sci.
Computer Sci. & Commun.
Earth & Environmental Sci.
Engineering
Medicine & Healthcare
Physics & Mathematics
Social Sci. & Humanities
Browse Subjects
Biomedical & Life Sciences
Business & Economics
Chemistry & Materials Science
Computer Science & Communications
Earth & Environmental Sciences
Engineering
Medicine & Healthcare
Physics & Mathematics
Social Sciences & Humanities
Publish with us
Paper Submission
Information for Authors
Peer-Review Resources
Open Special Issues
Open Access Statement
Frequently Asked Questions
Publish with us
Paper Submission
Information for Authors
Peer-Review Resources
Open Special Issues
Open Access Statement
Frequently Asked Questions
Follow SCIRP
Contact us
+1 323-425-8868
customer@scirp.org
+86 18163351462(WhatsApp)
1655362766
Paper Publishing WeChat
Complete Matching
Editorial Board
Show/Hide Options
Show/Hide Options
All
Title
Abstract
Keywords
DOI
Author
Journal
Affiliation
ISSN
Subject
Interaction of Atoms with Grain Surfaces in Steel: Periodic Dependence of Binding Energy on Atomic Number and Influence on Wear Resistance
(Articles)
Yuri F. Migal
,
Vladimir I. Kolesnikov
,
Vladimir N. Doronkin
,
Evgeni S. Novikov
Advances in Materials Physics and Chemistry
Vol.2 No.4
,December 28, 2012
DOI:
10.4236/ampc.2012.24030
5,730
Downloads
8,163
Views
Citations
Functional
N
-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories
(Articles)
Eduardo V. Ludeña
,
F. Javier Torres
,
Cesar Costa
Journal of Modern Physics
Vol.4 No.3A
,March 29, 2013
DOI:
10.4236/jmp.2013.43A055
5,702
Downloads
10,229
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor
(Articles)
Ngangbam Bedamani Singh
,
Barnali Bhattacharya
,
Utpal Sarkar
Soft Nanoscience Letters
Vol.3 No.4A
,December 4, 2013
DOI:
10.4236/snl.2013.34A003
3,446
Downloads
5,534
Views
Citations
This article belongs to the Special Issue on
Indo-US International Workshop on Nanosensor Science & Technology
Structure of Flavones and Flavonols. Part II: Role of Position on the O-H Bond Dissociation Enthalpy
(Articles)
Maria Hr. Vakarelska-Popovska
,
Zhivko As. Velkov
Computational Chemistry
Vol.2 No.1
,January 10, 2014
DOI:
10.4236/cc.2014.21001
3,880
Downloads
12,737
Views
Citations
DFT Study of Poly Furfuryl Alcohol-Rhodamine B Blend
(Articles)
Aqeel M. Ali
,
Ali H. Al-Mowali
Advances in Chemical Engineering and Science
Vol.4 No.2
,April 14, 2014
DOI:
10.4236/aces.2014.42019
5,220
Downloads
7,161
Views
Citations
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory
(Articles)
Jyothi Prashanth
,
Gaddam Ramesh
,
Jarupula Laxman Naik
,
Jai Kishan Ojha
,
Byru Venkatram Reddy
,
Gandham Ramana Rao
Optics and Photonics Journal
Vol.5 No.3
,March 25, 2015
DOI:
10.4236/opj.2015.53008
5,186
Downloads
7,885
Views
Citations
This article belongs to the Special Issue on
Laser Spectroscopy and Sensing
The Surface Reactivity of Pure and Monohydrogenated Nanocones Formed from Graphene Sheets
(Articles)
Ahlam A. El-Barbary
,
Mohamed A. Kamel
,
Khaled M. Eid
,
Hayam O. Taha
,
Rasha A. Mohamed
,
Mohammed A. Al-Khateeb
Graphene
Vol.4 No.4
,September 9, 2015
DOI:
10.4236/graphene.2015.44008
3,627
Downloads
4,632
Views
Citations
Mono-Vacancy and B-Doped Defects in Carbon Heterojunction Nanodevices
(Articles)
Ahlam A. El-Barbary
,
Mohamed A. Kamel
,
Khaled M. Eid
,
Hayam O. Taha
,
Mohamed M. Hassan
Graphene
Vol.4 No.4
,September 9, 2015
DOI:
10.4236/graphene.2015.44009
3,487
Downloads
4,312
Views
Citations
High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone: A First-Principles Study
(Articles)
S. Abdel Aal
,
A. S. Shalabi
,
K. A. Soliman
Journal of Quantum Information Science
Vol.5 No.4
,December 30, 2015
DOI:
10.4236/jqis.2015.54016
4,595
Downloads
6,148
Views
Citations
Investigation of the Stability of Oxadiasole and Their Analogs Using Quantum Mechanics Computation
(Articles)
Masoud Karimi
Computational Chemistry
Vol.4 No.1
,January 13, 2016
DOI:
10.4236/cc.2016.41002
4,158
Downloads
5,439
Views
Citations
Density Functional Theory Study of Exohedral Carbon Atoms Effect on Electrophilicity of Nicotine: Comparative Analysis
(Articles)
S. Dheivamalar
,
L. Sugi
,
K. Ambigai
Computational Chemistry
Vol.4 No.1
,January 29, 2016
DOI:
10.4236/cc.2016.41003
2,749
Downloads
4,380
Views
Citations
DFT-Comparison of Anti-Cancer Effect of Ibuprofen Drug Anions and Breast Cancer Treatment by Ethanolic Solution of Nitrobenzaldehyde in Two Hours
(Articles)
Anwar El-Shahawy
Computational Chemistry
Vol.5 No.1
,December 15, 2016
DOI:
10.4236/cc.2017.51002
1,649
Downloads
3,411
Views
Citations
A Proposed Orthogonal Chirp Division Multiplexing (OCDM) Multicarrier Transceiver Based on the Discrete Fractional Cosine Transform
(Articles)
Hani Attar
,
Ahmed Solyman
Journal of Computer and Communications
Vol.5 No.2
,February 24, 2017
DOI:
10.4236/jcc.2017.52005
1,541
Downloads
3,048
Views
Citations
Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method
(Articles)
Fatma Sevin
,
Mostafa Asghari Dilmani
,
Kübra Sarıkavak
,
Samira Farshbaf Jeddi
Computational Chemistry
Vol.5 No.2
,April 30, 2017
DOI:
10.4236/cc.2017.52007
1,393
Downloads
2,334
Views
Citations
Quantitative Structure Anti-Cancer Activity Relationship (QSAR) of a Series of Ruthenium Complex Azopyridine by the Density Functional Theory (DFT) Method
(Articles)
Kouakou Nobel N’guessan
,
Mamadou Guy-Richard Koné
,
Kafoumba Bamba
,
Ouattara Wawohinlin Patrice
,
Nahossé Ziao
Computational Molecular Bioscience
Vol.7 No.2
,June 29, 2017
DOI:
10.4236/cmb.2017.72002
1,312
Downloads
2,954
Views
Citations
Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study
(Articles)
Yeddu Sushma Priya
,
Kokkiripati Ramachandra Rao
,
Pallavajhula Venkata Chalapathi
,
Adamilli Veeraiah
Journal of Modern Physics
Vol.9 No.4
,March 30, 2018
DOI:
10.4236/jmp.2018.94049
905
Downloads
2,118
Views
Citations
This article belongs to the Special Issue on
Advances in Density Functional Theory
Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.8 No.2
,June 7, 2018
DOI:
10.4236/cmb.2018.82004
928
Downloads
2,169
Views
Citations
Molecular Structure, Electronic Structure, Properties and Analyses of Five Azopyridine Ruthenium Complexes α-Cl, β-Cl, γ-Cl, δ-Cl and ε-Cl of RuCl
2
(4,6-Dimethyl-Phenylazopyridine)
2
as Potential Cancer Drugs: DFT and TD-DFT Investigations
(Articles)
Nobel Kouakou N’Guessan
,
Kafoumba Bamba
,
Ouattara Wawohinlin Patrice
,
Nahossé Ziao
Computational Chemistry
Vol.6 No.3
,July 4, 2018
DOI:
10.4236/cc.2018.63003
860
Downloads
2,306
Views
Citations
7-(2-Ethyltiophenyl) Theophylline as Copper Corrosion Inhibitor in 1M HNO
3
(Articles)
Ouédraogo Augustin
,
Akpa Sagne Jacques
,
Diki N’guessan Yao Silvère
,
Diomande Gbe Gondo Didier
,
Coulibaly Nagnonta Hippolyte
,
Trokourey Albert
Journal of Materials Science and Chemical Engineering
Vol.6 No.8
,August 31, 2018
DOI:
10.4236/msce.2018.68004
968
Downloads
2,183
Views
Citations
Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.1
,March 18, 2019
DOI:
10.4236/cmb.2019.91002
740
Downloads
1,931
Views
Citations
<
...
4
5
6
...
>
Follow SCIRP
Contact us
+1 323-425-8868
customer@scirp.org
+86 18163351462(WhatsApp)
1655362766
Paper Publishing WeChat
Free SCIRP Newsletters
Home
Journals A-Z
Subject
Books
Sitemap
Contact Us
About SCIRP
Publication Fees
For Authors
Peer-Review Issues
Special Issues
News
Service
Manuscript Tracking System
Subscription
Translation & Proofreading
FAQ
Volume & Issue
Policies
Open Access
Publication Ethics
Preservation
Retraction
Privacy Policy
Copyright © 2006-2024 Scientific Research Publishing Inc. All Rights Reserved.
Top