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Affiliation
ISSN
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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
5,373
Downloads
10,695
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
5,609
Downloads
9,317
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
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
3,968
Downloads
5,328
Views
Citations
This article belongs to the Special Issue on
Adsorption Science and Technology
Synthesis and Evaluation of Corrosion Inhibiting Activity of New Molecular Hybrids Containing the Morpholine, 1,4-Naphthoquinone, 7-Chloroquinoline and 1,3,5-Triazine Cores
(Articles)
Regina Westphal
,
Jorge Welton de Souza Pina
,
Juliana Panceri Franco
,
Josimar Ribeiro
,
Maicon Delarmelina
,
Rodolfo Goetze Fiorot
,
José Walkimar de Mesquita Carneiro
,
Sandro José Greco
Advances in Chemical Engineering and Science
Vol.10 No.4
,September 22, 2020
DOI:
10.4236/aces.2020.104024
491
Downloads
1,917
Views
Citations
A Study by
Ab-Initio
Calculation of Structural and Electronic Properties of Semiconductor Nanostructures Based on ZnSe
(Articles)
A. Rachidi
,
E. H. Atmani
,
N. Fazouan
,
M. Boujnah
Materials Sciences and Applications
Vol.7 No.9
,September 29, 2016
DOI:
10.4236/msa.2016.79047
1,686
Downloads
3,700
Views
Citations
This article belongs to the Special Issue on
Advanced Functional Materials Research
Ab-Initio
Computations of Electronic, Transport, and Structural Properties of
zinc-blende
Beryllium Selenide (
zb
-BeSe)
(Articles)
Richard Inakpenu
,
Cheick Bamba
,
Ifeanyi H. Nwigboji
,
Lashounda Franklin
,
Yuriy Malozovsky
,
Guang-Lin Zhao
,
Diola Bagayoko
Journal of Modern Physics
Vol.8 No.4
,March 20, 2017
DOI:
10.4236/jmp.2017.84037
1,554
Downloads
2,538
Views
Citations
This article belongs to the Special Issue on
Density Functional Theory
Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene)
2
]
2+
(Articles)
Joseph K. Koka
Materials Sciences and Applications
Vol.10 No.2
,January 29, 2019
DOI:
10.4236/msa.2019.102009
582
Downloads
1,158
Views
Citations
Photofading of Derivatives of Paraben (PHB) by AM1 and PM3 Methods: A Theoretical Study
(Articles)
Krzysztof Wojciechowski
,
Lucjan Szuster
Computational Chemistry
Vol.7 No.2
,April 23, 2019
DOI:
10.4236/cc.2019.72003
690
Downloads
1,452
Views
Citations
Thiosemicarbazones Synthesized from Acetophenones: Tautomerism, Spectrometric Data, Reactivity and Theoretical Calculations
(Articles)
Belén Gastaca
,
Hernán Rubén Sánchez
,
Fiorella Menestrina
,
Maricel Caputo
,
María de las Mercedes Schiavoni
,
Jorge Javier Pedro Furlong
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.7 No.2
,June 28, 2019
DOI:
10.4236/ijamsc.2019.72003
691
Downloads
2,096
Views
Citations
When the Mind Affects the Heart
(Articles)
Cláudio Garcia Capitão
Psychology
Vol.6 No.16
,December 29, 2015
DOI:
10.4236/psych.2015.616210
3,609
Downloads
4,472
Views
Citations
Implementing a Lesson Study Model in Chinese Universities
(Articles)
Yi Zeng
Psychology
Vol.14 No.3
,March 13, 2023
DOI:
10.4236/psych.2023.143020
88
Downloads
373
Views
Citations
Chemical Degradation of Indigo Potassium Tetrasulfonate Dye by Advanced Oxidation Processes
(Articles)
Veronica Camargo
,
Elba Ortiz
,
Hugo Solis
,
Carlos M. Cortes-Romero
,
Sandra Loera-Serna
,
Carlos J. Perez
Journal of Environmental Protection
Vol.5 No.13
,October 30, 2014
DOI:
10.4236/jep.2014.513128
5,178
Downloads
6,656
Views
Citations
Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and
ab Initio
HF Calculations
(Articles)
Charef Tabti
,
Nadia Benhalima
Advances in Materials Physics and Chemistry
Vol.5 No.7
,July 22, 2015
DOI:
10.4236/ampc.2015.57023
5,451
Downloads
6,794
Views
Citations
A Review Study of Experimental and Theoretical Humidification Dehumidification Solar Desalination Technology
(Articles)
Mohamed M. Khairat Dawood
,
Ahmed Amer
,
Tamer Mansour
,
Mohamed A. Teamah
,
Attia Aref
Computational Water, Energy, and Environmental Engineering
Vol.9 No.3
,July 20, 2020
DOI:
10.4236/cweee.2020.93005
861
Downloads
3,306
Views
Citations
Structural, Theoretical and Biological Studies of (Z)-3-Amino-N-(3-Amino Pyrazine-2-Carbonyl) Pyrazine-2-Carbohydrazonic Acid (APA; L) and Its Cu
2+
, Co
2+
, Pt
4+
and Pd
2+
Chelates
(Articles)
Mosaad R. Mlahi
,
Mohsen M. Mostafa
Open Journal of Inorganic Chemistry
Vol.11 No.4
,October 27, 2021
DOI:
10.4236/ojic.2021.114010
195
Downloads
879
Views
Citations
Inconsistencies in Theoretical Physics, with Focus on the Higgs Mechanism
(Articles)
Thomas L. Wilson
Journal of Modern Physics
Vol.6 No.3
,February 25, 2015
DOI:
10.4236/jmp.2015.63027
3,585
Downloads
4,675
Views
Citations
This article belongs to the Special Issue on
Gravitation, Astrophysics and Cosmology
Theoretical Study of 5-HTP. Potential New Drug Resulting from the Complexation of 5-HTP with ATP
(Articles)
Josette Weinberg
,
Dan A. Lerner
Computational Chemistry
Vol.1 No.1
,October 29, 2013
DOI:
10.4236/cc.2013.11001
5,972
Downloads
16,260
Views
Citations
Computational Study of the Molecular Complexes between 5-HTP with ATP and DHEA. Potential New Drug Resulting from This Complexation
(Articles)
Dan A. Lerner
,
Constantin Balaceanu-Stolnici
,
Josette Weinberg
,
Luminita Patron
Computational Chemistry
Vol.3 No.1
,January 16, 2015
DOI:
10.4236/cc.2015.31003
3,385
Downloads
4,370
Views
Citations
Computational Analysis of Theacrine, a Purported Nootropic and Energy-Enhancing Nutritional Supplement
(Articles)
Bradley O. Ashburn
,
Diana J. Le
,
Corin K. Nishimura
Computational Chemistry
Vol.7 No.1
,December 28, 2018
DOI:
10.4236/cc.2019.71002
1,051
Downloads
2,215
Views
Citations
Study of the Reactivity of (100) Felodipine Surface Model Based on DFT Concepts
(Articles)
Carlos Tepech-Carrillo
,
Roxana Licona-Ibarra
,
J. Francisco Rivas-Silva
,
Antonio Flores-Riveros
Open Journal of Physical Chemistry
Vol.9 No.1
,February 15, 2019
DOI:
10.4236/ojpc.2019.91001
868
Downloads
1,879
Views
Citations
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