Quantum Chemical Calculations - Articles - Scientific Research Publishing

Synthesis and Evaluation of 4-Hydroxy Quinolinone Derivatives as Antioxidants of Lubricating Grease (Articles)

Modather F. Hussein, Mostafa A. Ismail, Refaat A. El-Adly

International Journal of Organic Chemistry Vol.6 No.4, December 5, 2016

DOI: 10.4236/ijoc.2016.64021 2,142 Downloads 4,471 Views Citations
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series (Articles)

Bibata Konate, Sopi Thomas Affi, Nahossé Ziao

Computational Chemistry Vol.9 No.1, December 4, 2020

DOI: 10.4236/cc.2021.91001 673 Downloads 1,779 Views Citations
Quantum Mechanics as a Reactive Probabilistic System (Articles)

Germano Resconi, Santanu Kumar Patro, Srecko Sorli Amrit

Journal of Applied Mathematics and Physics Vol.7 No.3, March 28, 2019

DOI: 10.4236/jamp.2019.73048 878 Downloads 1,933 Views Citations
Structure Analysis for Hydrate Models of Ethyleneimine Oligomer by Quantum Chemical Calculation (Articles)

Minoru Kobayashi, Hisaya Sato

Pharmacology & Pharmacy Vol.1 No.2, November 5, 2010

DOI: 10.4236/pp.2010.12009 6,473 Downloads 11,106 Views Citations
Crystal and Molecular Structure, and Spectral Characteristics of Sodium 3,5-Bis(Hydroxyimino)-1-Methyl-2,4,6-Trioxocyclohexanide (Articles)

Olga Kovalchukova, Nguyen Dinh Do, Adam Stash, Vitaly Bel’sky, Paul Strashnov, Andrew Alafinov, Oleg Volyansky, Svetlana Strashnova, Konstantin Kobrakov

Crystal Structure Theory and Applications Vol.1 No.3, December 25, 2012

DOI: 10.4236/csta.2012.13009 3,835 Downloads 7,741 Views Citations
Isolation of Nanocellulose from Cotton Cellulose and Computer Modeling of Its Structure (Articles)

Abdumutolib Atakhanov, Islom Turdikulov, Burhon Mamadiyorov, Nodira Abdullaeva, Ilnar Nurgaliev, Yunusov Khaydar, Sayora Rashidova

Open Journal of Polymer Chemistry Vol.9 No.4, November 5, 2019

DOI: 10.4236/ojpchem.2019.94010 1,218 Downloads 4,092 Views Citations
Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of Emilia sonchifolia Leaf Extract for Copper (CU131729) in Hydrochloric Acid (Articles)

Raphael S. Oguike, Omolara Oni, Aisha U. Barambu, Davoud Balarak, Toma Buba, Chioma U. Okeke, Lawrence S. Momoh, Shakede Onimisi, Williams J. Nwada

Computational Chemistry Vol.9 No.1, December 7, 2020

DOI: 10.4236/cc.2021.91002 714 Downloads 2,237 Views Citations
Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations (Articles)

Raghad Alajlani, Amal Alssadi

Open Journal of Physical Chemistry Vol.9 No.4, November 8, 2019

DOI: 10.4236/ojpc.2019.94013 1,158 Downloads 3,540 Views Citations
The Monte Carlo Simulation and Non-Parametric Tests Application on Chemical Data (Articles)

H. Alshammari, A. Algammidi, Ahmed Algammidi

Natural Science Vol.9 No.12, December 29, 2017

DOI: 10.4236/ns.2017.912039 1,196 Downloads 3,219 Views Citations
Theoretical and Experimental Study of the Mechanism of Reaction Formation of Cyanine Dyes (Articles)

Boshkayeva Assyl, Omarova Roza, Pichkhadze Guram, Shalpykova Nasiba

International Journal of Organic Chemistry Vol.4 No.5, December 26, 2014

DOI: 10.4236/ijoc.2014.45030 2,594 Downloads 4,025 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 5,917 Downloads 9,545 Views Citations
This article belongs to the Special Issue on Density Functional Theory
Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond (Articles)

Jumber Kereselidze, Marine Kvaraia, George Mikuchadze

Computational Molecular Bioscience Vol.4 No.2, September 17, 2014

DOI: 10.4236/cmb.2014.42004 3,686 Downloads 5,011 Views Citations
Can Really Regularized Amplitudes Be Obtained as Consistent with Their Expected Symmetry Properties? (Articles)

OrimarOrimar Antônio Battistel, Gilson Dallabona, Marcus Vinicios Fonseca, Luciana Ebani

Journal of Modern Physics Vol.9 No.6, May 14, 2018

DOI: 10.4236/jmp.2018.96070 840 Downloads 1,906 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

International Journal of Analytical Mass Spectrometry and Chromatography Vol.7 No.2, June 28, 2019

DOI: 10.4236/ijamsc.2019.72003 988 Downloads 3,059 Views Citations
Comparison and Analysis of Chinese and United States Stock Market (Articles)

Yufan Yang

Journal of Financial Risk Management Vol.9 No.1, March 10, 2020

DOI: 10.4236/jfrm.2020.91003 1,758 Downloads 12,269 Views Citations
Spectroscopic Electrochemical Properties and DFT Calculation of 1-Aryltriazenes (Articles)

Insa Seck, Mohamed Lamine Sall, Atoumane Ndiaye, Samba Fama Ndoye, Lalla Aïcha Ba, Matar Seck

International Journal of Organic Chemistry Vol.13 No.4, December 6, 2023

DOI: 10.4236/ijoc.2023.134009 311 Downloads 1,456 Views Citations
Statistical Change Detection in Water Cycle over Two Decades and Assessment of Impact of Urbanization on Surface and Sub-Surface Water Flows (Articles)

Sheetal Sharma, Alka Bharat, Vinay Mohan Das

Open Journal of Modern Hydrology Vol.3 No.4, October 7, 2013

DOI: 10.4236/ojmh.2013.34020 5,876 Downloads 10,477 Views Citations
Revisiting Euler’s Orbital Calculations for the Comet of 1742 (Articles)

Sylvio R. Bistafa

Advances in Historical Studies Vol.10 No.1, March 25, 2021

DOI: 10.4236/ahs.2021.101007 791 Downloads 3,525 Views Citations
The Confinement of Electromagnetic Radiation of Nanoemitters in a Multilayered Microsphere with Left-Handed Layers (Articles)

Gennadiy Burlak, Alfredo Díaz-de-Anda

Journal of Electromagnetic Analysis and Applications Vol.2 No.12, December 29, 2010

DOI: 10.4236/jemaa.2010.212086 4,883 Downloads 8,592 Views Citations
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 5,687 Downloads 11,417 Views Citations

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