Model and Ab Initio Calculations - Articles - Scientific Research Publishing

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

International Journal of Analytical Mass Spectrometry and Chromatography Vol.4 No.1, March 30, 2016

DOI: 10.4236/ijamsc.2016.41002 5,445 Downloads 10,180 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 2,032 Downloads 3,722 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 1,771 Downloads 3,293 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 2,125 Downloads 3,840 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 888 Downloads 2,853 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 484 Downloads 1,619 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 521 Downloads 2,477 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 230 Downloads 849 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 582 Downloads 2,477 Views Citations
Efficient Theoretical Screening of Solid Sorbents for CO₂ Capture Applications (Articles)

Yuhua Duan, David Luebke, Henry Henry Pennline

International Journal of Clean Coal and Energy Vol.1 No.1, February 28, 2012

DOI: 10.4236/ijcce.2012.11001 8,653 Downloads 20,585 Views Citations
Ab Initio and Density Functional Theory (DFT) Study on Clonazepam (Articles)

Bachu Sylaja, Shanmugam Srinivasan

Open Journal of Biophysics Vol.2 No.3, July 27, 2012

DOI: 10.4236/ojbiphy.2012.23011 6,019 Downloads 12,537 Views Citations
Physical Properties of the Zn_xCd_1-xSe Alloys: Ab-Initio Method (Articles)

Mohammed Ameri, Meriem Fodil, Fatma Z. Aoumeur-Benkabou, Zoubir Mahdjoub, Fatima Boufadi, Ali Bentouaf

Materials Sciences and Applications Vol.3 No.11, November 27, 2012

DOI: 10.4236/msa.2012.311112 4,952 Downloads 8,512 Views Citations
Intravenous immunoglobulin suppresses IL-10 production by activated B cells in vitro (Articles)

Jun Tanaka, Kumiko Hirano, Yuzuru Sakamoto, Akiko Sugahara-Tobinai, Shota Endo, Yumi Ito-Matsuoka, Atsushi Nakano, Masanori Inui, Lars Nitschke, Toshiyuki Takai

Open Journal of Immunology Vol.2 No.4, December 31, 2012

DOI: 10.4236/oji.2012.24019 4,274 Downloads 8,585 Views Citations
Bonding Characteristics of TiC and TiN (Articles)

Kuiying Chen, Sami Kamran

Modeling and Numerical Simulation of Material Science Vol.3 No.1, January 21, 2013

DOI: 10.4236/mnsms.2013.31002 11,100 Downloads 17,389 Views Citations
Conventional and Molecular Approaches towards Genetic Improvement in Pigeonpea for Insects Resistance (Articles)

Arbind K. Choudhary, Ranjeet Sharad Raje, Subhojit Datta, Rafat Sultana, Timmanna Ontagodi

American Journal of Plant Sciences Vol.4 No.2A, February 28, 2013

DOI: 10.4236/ajps.2013.42A049 7,809 Downloads 14,991 Views Citations
This article belongs to the Special Issue on Biointeractions and Plant Health
Lifshitz Transition Including Many-Body Effects in Bi-Layer Graphene and Change in Stacking Order (Articles)

Partha Goswami

Graphene Vol.2 No.2, April 30, 2013

DOI: 10.4236/graphene.2013.22013 12,223 Downloads 41,815 Views Citations
Rosenberg Self-Esteem Scale Greek Validation on Student Sample (Articles)

Christina Galanou, Michael Galanakis, Euaggelos Alexopoulos, Christina Darviri

Psychology Vol.5 No.8, June 9, 2014

DOI: 10.4236/psych.2014.58093 18,685 Downloads 28,482 Views Citations
Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation (Articles)

Sezen Horoz, Sevket Simsek, Selami Palaz, Amirullah M. Mamedov

World Journal of Condensed Matter Physics Vol.5 No.2, May 29, 2015

DOI: 10.4236/wjcmp.2015.52011 4,014 Downloads 6,042 Views Citations
Theoretical Study of the Triplet Electronic States of the BP Molecule (Articles)

Mahdi Mansour, Nayla El-Kork, Mahmoud Korek

Journal of Modern Physics Vol.6 No.8, July 28, 2015

DOI: 10.4236/jmp.2015.68119 3,058 Downloads 4,355 Views Citations
Ab-Initio Calculations of 27 Electronic States of the BP⁺ Ion-Molecule (Articles)

Mahdi Mansour, Nayla El-Kork, Mahmoud Korek

Journal of Modern Physics Vol.6 No.13, October 19, 2015

DOI: 10.4236/jmp.2015.613180 3,023 Downloads 4,056 Views Citations

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