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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
3,989
Downloads
5,197
Views
Citations
This article belongs to the Special Issue on
Adsorption Science and Technology
Spectroscopic Evaluation of the Molecular Structures of di-μ-Chlorobis(1,5-Cyclooctadiene) Iridium (I) and Rhodium (I) Complexes
(Articles)
Saheed A. Popoola
,
Abdulaziz A. Al-Saadi
Journal of Applied Mathematics and Physics
Vol.3 No.2
,January 30, 2015
DOI:
10.4236/jamp.2015.32021
3,771
Downloads
4,602
Views
Citations
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate
(Articles)
Mahjouba Ben Nasr
,
Frédéric Lefebvre
,
Chérif Ben Nasr
American Journal of Analytical Chemistry
Vol.6 No.5
,April 13, 2015
DOI:
10.4236/ajac.2015.65044
4,709
Downloads
6,192
Views
Citations
Modern Ab-Initio Calculations on Modified Tomas-Fermi-Dirac Theory
(Articles)
Sergey Seriy
Open Journal of Modelling and Simulation
Vol.3 No.3
,June 24, 2015
DOI:
10.4236/ojmsi.2015.33010
5,201
Downloads
6,689
Views
Citations
Application of GC/EIMS in Combination with Semi-Empirical Calculations for Identification and Investigation of Some Volatile Components in Basil Essential Oil
(Articles)
Mamoun S. M. Abd El-Kareem
,
Mohamed Abd El Fattah Rabbih
,
Ezzat Taha Mohamed Selim
,
Elsherbiny Abd El-monem Elsherbiny
,
Ayman Yasen El-Khateeb
Int'l J. of Analytical Mass Spectrometry and Chromatography
Vol.4 No.1
,March 30, 2016
DOI:
10.4236/ijamsc.2016.41002
4,827
Downloads
8,066
Views
Citations
Comparative Molecular Mechanics and Quantum Mechanics Study of Monohydration of Nucleic Acid Bases
(Articles)
Job Lino-Pérez
,
Eduardo González-Jiménez
,
Alexandra Deriabina
,
Martha Velasco
,
Valery I. Poltev
Journal of Biophysical Chemistry
Vol.7 No.2
,May 17, 2016
DOI:
10.4236/jbpc.2016.72005
2,318
Downloads
3,559
Views
Citations
Photochemical Reactions of Microcystin-LR Following Irradiation with UV Light
(Articles)
Yoshihiro Mizukami
Open Journal of Physical Chemistry
Vol.6 No.4
,October 25, 2016
DOI:
10.4236/ojpc.2016.64008
1,776
Downloads
2,900
Views
Citations
Site Selectivity of One Hydroxyl Group Bonded on the Surface of Finite (5, 0) Zigzag Carbon Nanotube
(Articles)
Afshin Abbasi
,
Hossein Mostaanzadeh
,
Reza Safari
,
Ebrahim Honarmand
Computational Chemistry
Vol.5 No.1
,December 6, 2016
DOI:
10.4236/cc.2017.51001
1,538
Downloads
2,566
Views
Citations
Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1
H
- 1,2,4-triazol-3-amine
(Articles)
Jelena Tamuliene
,
Jonas Sarlauskas
,
Svajone Bekesiene
American Journal of Analytical Chemistry
Vol.8 No.2
,February 4, 2017
DOI:
10.4236/ajac.2017.82010
1,861
Downloads
2,982
Views
Citations
This article belongs to the Special Issue on
Chemical Structure Analysis
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
589
Downloads
1,894
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
212
Downloads
848
Views
Citations
Calculation of Aerodynamic Characteristics of Hypersonic Vehicles Based on the Surface Element Method
(Articles)
Tianqiang Huang
,
Guoyi He
,
Qi Wang
Advances in Aerospace Science and Technology
Vol.7 No.2
,May 27, 2022
DOI:
10.4236/aast.2022.72007
283
Downloads
1,310
Views
Citations
First-Principles Investigation of Charge Transfer Mechanism of B-Doped 3C-SiC Semiconductor Material
(Articles)
Abdullahi Alkali Dauda
,
Muhammad Yusuf Onimisi
,
Adeyemi Joshua Owolabi
,
Hameed Adeneyi Lawal
,
Hassan Muhammad Gambo
,
Bashir Mohammed Aliyu
,
Surajo Bala
,
Muhammad Lamido Madugu
,
Muhammad Abdurrahman Nainna
,
Johnson Akinade Bamikole
World Journal of Condensed Matter Physics
Vol.14 No.2
,May 28, 2024
DOI:
10.4236/wjcmp.2024.142004
27
Downloads
94
Views
Citations
Euler’s Forgotten Equation of the Center
(Articles)
Sylvio R. Bistafa
Advances in Historical Studies
Vol.10 No.1
,March 15, 2021
DOI:
10.4236/ahs.2021.101005
349
Downloads
1,486
Views
Citations
Modified atomic orbital theory applied to the calculation of high-lying
2
(K,T)
n
±1,3
P° rydberg series of he-like ions
(Articles)
Ibrahima Sakho
Natural Science
Vol.4 No.1
,December 31, 2011
DOI:
10.4236/ns.2012.41011
4,473
Downloads
7,416
Views
Citations
A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum
(Articles)
Nicolay I. Dodoff
Computational Molecular Bioscience
Vol.2 No.2
,June 29, 2012
DOI:
10.4236/cmb.2012.22004
6,509
Downloads
16,297
Views
Citations
Melting of Argon Cluster: Dependence of Caloric Curves on MD Simulation Parameters
(Articles)
Mohamed Tabti
,
Adil Eddahbi
,
Said Ouaskit
,
Lahcen Elarroum
World Journal of Condensed Matter Physics
Vol.2 No.3
,August 31, 2012
DOI:
10.4236/wjcmp.2012.23023
3,798
Downloads
6,765
Views
Citations
Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties
(Articles)
Elida Romano
,
María V. Castillo
,
Jorgelina L. Pergomet
,
Juan Zinczuk
,
Silvia A. Brandán
Open Journal of Synthesis Theory and Applications
Vol.2 No.1
,January 28, 2013
DOI:
10.4236/ojsta.2013.21002
4,810
Downloads
8,746
Views
Citations
An Adjusted Model for Simple 1,2-Dyotropic Reactions.
Ab Initio
MO and VB Considerations
(Articles)
Henk M. Buck
Open Journal of Physical Chemistry
Vol.3 No.3
,August 6, 2013
DOI:
10.4236/ojpc.2013.33015
3,022
Downloads
5,488
Views
Citations
Construction of Periodic Solutions of One Class Nonautonomous Systems of Differential Equations
(Articles)
Alexander N. Pchelintsev
Journal of Applied Mathematics and Physics
Vol.1 No.3
,August 23, 2013
DOI:
10.4236/jamp.2013.13001
3,740
Downloads
8,032
Views
Citations
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