HOMO and LUMO Orbitals - Articles - Scientific Research Publishing

Prediction of the Photofading of Selected Derivatives of 5-(4-X-Phenylazo)-3-Cyano-1-(H or Ethyl)-6-Hydroxy-4-Methyl-2-Pyridone: Theoretical Studies, Comparison of AM1 and PM3 Methods (Articles)

Krzysztof Wojciechowski, Lucjan Szuster

Computational Chemistry Vol.12 No.2，April 30, 2024

DOI: 10.4236/cc.2024.122002 60 Downloads 235 Views Citations
A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile (Articles)

Durai Sakthi, Madhu Prakasam, Annamalai Prakasam, Santhanam Sivakumar, Ponnusamy Munusamy Anbarasan

Computational Chemistry Vol.5 No.3，July 27, 2017

DOI: 10.4236/cc.2017.53011 1,297 Downloads 3,372 Views Citations
NBO Population Analysis and Electronic Calculation of Four Azopyridine Ruthenium Complexes by DFT Method (Articles)

N’Guessan Kouakou Nobel, Kafoumba Bamba, Ouattara Wawohinlin Patrice, Nahossé Ziao

Computational Chemistry Vol.5 No.1，January 19, 2017

DOI: 10.4236/cc.2017.51005 3,216 Downloads 6,361 Views Citations
Theoretical Study of the Reaction of (2, 2)-Dichloro (Ethyl) Arylphosphine with Bis (2, 2)-Dichloro (Ethyl) Arylphosphine by Hydrophosphination Regioselective by the DFT Method (Articles)

Kouadio Valery Bohoussou, Anoubilé Benié, Mamadou Guy-Richard Koné, Affi Baudelaire Kakou, Kafoumba Bamba, Nahossé Ziao

Computational Chemistry Vol.5 No.3，July 27, 2017

DOI: 10.4236/cc.2017.53010 924 Downloads 1,822 Views Citations
Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study (Articles)

Yeddu Sushma Priya, Kokkiripati Ramachandra Rao, Pallavajhula Venkata Chalapathi, Adamilli Veeraiah

Journal of Modern Physics Vol.9 No.4，March 30, 2018

DOI: 10.4236/jmp.2018.94049 1,012 Downloads 2,381 Views Citations
This article belongs to the Special Issue on Advances in Density Functional Theory
Theoretical and Electrochemical Characterization of δ-RuCl₂(Nazpy)₂: Application to Oxidation of D-Glucose (Articles)

Wawohinlin Patrice Ouattara, Kafoumba Bamba, Nahossé Ziao, Kouakou Nobel N’guessan

American Journal of Analytical Chemistry Vol.7 No.1，January 22, 2016

DOI: 10.4236/ajac.2016.71006 4,454 Downloads 5,463 Views Citations
Combined Experimental and Computational Investigation of 2-(2-Hydroxyphenylimino) Phenolic Derivatives: Synthesis, Molecular Structure and NLO Studies (Articles)

V. Duraisamy Nadhiya, Rathinam Kumaresan

International Journal of Organic Chemistry Vol.7 No.2，June 28, 2017

DOI: 10.4236/ijoc.2017.72015 1,530 Downloads 3,087 Views Citations
Quantum Chemistry Research on Zinc Electrodeposition in KCl Solution (Articles)

Zhiliang Chen

Open Access Library Journal Vol.10 No.3，March 31, 2023

DOI: 10.4236/oalib.1109762 81 Downloads 630 Views Citations
Burnout as Alienation in the Counselling Field: The Descent from Homo-Faber to Homo-Economous (Articles)

Tony Carton

Sociology Mind Vol.6 No.2，April 8, 2016

DOI: 10.4236/sm.2016.62002 2,722 Downloads 4,121 Views Citations
Positional Changes of the Hyoid Bone after Correction of the Glosso-Larynx—Hyoid Bone Complex (HBC) (Articles)

Susumu Mukai

International Journal of Clinical Medicine Vol.11 No.5，May 14, 2020

DOI: 10.4236/ijcm.2020.115026 579 Downloads 2,250 Views Citations
Character of Frontier Orbitals of Antiviral Drugs: Candidate Drugs against Covid-19 (Articles)

Yoshihiro Mizukami

Open Journal of Physical Chemistry Vol.10 No.3，August 3, 2020

DOI: 10.4236/ojpc.2020.103009 667 Downloads 1,704 Views Citations
3D Morphometric Study of the Mandibular Fossa and Its Implication for Species Recognition in Homo erectus (Articles)

Alon Barash, Markus Bastir, Ella Been

Advances in Anthropology Vol.5 No.3，August 10, 2015

DOI: 10.4236/aa.2015.53014 4,439 Downloads 6,021 Views Citations
Evolution and Yoga. Hypothesis: From Reptilian to Intuitional Brain (Articles)

Carlos Munoz

Open Journal of Philosophy Vol.10 No.2，May 22, 2020

DOI: 10.4236/ojpp.2020.102018 968 Downloads 5,187 Views Citations
Generalized Orbitals under the Influence of 2D Central and Noncentral Forces (Articles)

Haiduke Sarafian

World Journal of Mechanics Vol.4 No.10，October 14, 2014

DOI: 10.4236/wjm.2014.410030 2,167 Downloads 2,863 Views Citations
The Genesis of the Quantum Theory of the Chemical Bond (Articles)

Salvatore Esposito, Adele Naddeo

Advances in Historical Studies Vol.3 No.5，December 23, 2014

DOI: 10.4236/ahs.2014.35020 5,521 Downloads 8,290 Views Citations
Metallocene Catalyzed Homopolymerization of Propylene with a C₂ Symmetric Isospecific Zirconecene/MMAO Catalysts under Different Polymerization Conditions (Articles)

Benard Oloo Nyangoye, Benard Odhiambo Obondo

Open Journal of Organic Polymer Materials Vol.10 No.3，July 31, 2020

DOI: 10.4236/ojopm.2020.103003 513 Downloads 1,597 Views Citations
A Band Theory Perspective on Molecular Orbitals in Complex Oxides (Articles)

Kateryna Foyevtsova, George A. Sawatzky

Journal of Modern Physics Vol.10 No.8，July 9, 2019

DOI: 10.4236/jmp.2019.108062 1,163 Downloads 2,875 Views Citations
This article belongs to the Special Issue on Density Functional Theory
New Postcranial Hominin Fossils from the Central Narmada Valley, India (Articles)

Anek R. Sankhyan, Giani L. Badam, Laxmi N. Dewangan, Sheuli Chakraborty, Shashi Prabha, Suvendu Kundu, Rana Chakravarty

Advances in Anthropology Vol.2 No.3，August 20, 2012

DOI: 10.4236/aa.2012.23015 6,701 Downloads 15,752 Views Citations
Hominin Evolution Was Caused by Introgression from Gorilla (Articles)

Johan Nygren

Natural Science Vol.10 No.9，September 11, 2018

DOI: 10.4236/ns.2018.109033 990 Downloads 3,134 Views Citations
The Superconductivity in Fe-Based Family of Superconductors and Its Electronic Structure Analysis in Presence of Dopants Rh and Pd (Articles)

Ronald Columbié-Leyva, Alberto López-Vivas, Ulises Miranda, Ilya G. Kaplan

Journal of Quantum Information Science Vol.12 No.4，December 29, 2022

DOI: 10.4236/jqis.2022.124010 181 Downloads 773 Views Citations

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