Numerical Calculations - Articles - Scientific Research Publishing

On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane (Articles)

Alejandro Ramírez-Solís

Computational Chemistry Vol.2 No.2，April 29, 2014

DOI: 10.4236/cc.2014.22005 6,723 Downloads 11,072 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 5,289 Downloads 6,768 Views Citations
A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives (Articles)

María J. Márquez, María B. Márquez, Pablo G. Cataldo, Silvia A. Brandán

Open Journal of Synthesis Theory and Applications Vol.4 No.1，January 8, 2015

DOI: 10.4236/ojsta.2015.41001 4,331 Downloads 5,774 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 4,074 Downloads 5,443 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 3,853 Downloads 4,891 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 4,830 Downloads 6,489 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 5,362 Downloads 7,208 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 5,068 Downloads 8,915 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 2,376 Downloads 3,774 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 1,846 Downloads 3,165 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 1,613 Downloads 2,778 Views Citations
Influence of Nitro Group Substitutes to the Stability and Energetic Properties of N-(2,4,6-trinitrophenyl)-1H- 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 1,946 Downloads 3,259 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 693 Downloads 2,264 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 Cu²⁺, Co²⁺, Pt⁴⁺ and Pd²⁺ 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 298 Downloads 1,113 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 377 Downloads 1,743 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, Hammed 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 118 Downloads 365 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 436 Downloads 1,859 Views Citations
Finite Element Simulation on the Roller Pressure during the Rolling of Glass (Articles)

Geng Tie, Hujin Zhong

Journal of Materials Science and Chemical Engineering Vol.5 No.1，January 24, 2017

DOI: 10.4236/msce.2017.51020 3,090 Downloads 4,110 Views Citations
Transition States for Shock Induced Chemical Reactions in Binary Energetic Materials (Articles)

Vindhya Narayanan, Sathya Hanagud

Journal of Materials Science and Chemical Engineering Vol.8 No.7，July 30, 2020

DOI: 10.4236/msce.2020.87003 450 Downloads 1,214 Views Citations
Verifying a Finite Element Analysis Methodology with Reinforced Concrete Beam Experiments (Articles)

Naveen Revanna, Charles K. S. Moy, Theofanis Krevaikas

Journal of Applied Mathematics and Physics Vol.8 No.11，November 26, 2020

DOI: 10.4236/jamp.2020.811190 663 Downloads 1,957 Views Citations

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