Conceptual DFT - Articles - Scientific Research Publishing

Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand (Articles)

Divine Mbom Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, Che Dieudonne Tabong, Wirsiy Judith, Agwara Moise Ondoh

Open Journal of Inorganic Chemistry Vol.11 No.3, July 8, 2021

DOI: 10.4236/ojic.2021.113005 593 Downloads 2,259 Views Citations
Catechin and Epicatechin. What’s the More Reactive? (Articles)

Essoh Akpa Eugène, N’guessan Boka Robert, Adenidji Ganiyou, Yapo Kicho Denis, Adjou Ané, Bamba El Hadji Sawaliho

Computational Chemistry Vol.10 No.2, March 11, 2022

DOI: 10.4236/cc.2022.102003 696 Downloads 4,374 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 335 Downloads 1,529 Views Citations
A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics (Articles)

Mohammad Alauddin, Mohammad Masud Parvez, Mohammad Abdul Matin

Computational Molecular Bioscience Vol.13 No.4, December 13, 2023

DOI: 10.4236/cmb.2023.134005 285 Downloads 1,086 Views Citations
Theoretical Study of Benzothiazole and Its Derivatives: Molecular Structure, Spectroscopic Properties, NBO, MEP and TD-DFT Analyses (Articles)

Konaté Abdoulaye, Bédé Affoué Lucie, Ouattara Lamoussa, Koné Soleymane, Bamba Kafoumba

Journal of Materials Science and Chemical Engineering Vol.12 No.3, March 29, 2024

DOI: 10.4236/msce.2024.123004 341 Downloads 1,725 Views Citations
Product Conceptual Design Method Based on Intuitionistic Fuzzy Binary Semantics Group Decision Making (Articles)

Xiaoguang Zhou, Yongpeng Wu, Vendula Polochova

Journal of Service Science and Management Vol.12 No.6, October 9, 2019

DOI: 10.4236/jssm.2019.126050 748 Downloads 1,896 Views Citations
The Motivations for the Semantic Change in the Category Green in Arabic: A Synchronic and Diachronic Corpus-Based Analysis (Articles)

Hicham Lahlou

Open Journal of Social Sciences Vol.8 No.1, December 31, 2019

DOI: 10.4236/jss.2020.81002 778 Downloads 2,292 Views Citations
Incommensurability, Abstraction, and Idealization: A Conceptualist Approach (Articles)

José Luis Rolleri

Open Journal of Philosophy Vol.13 No.3, July 7, 2023

DOI: 10.4236/ojpp.2023.133029 260 Downloads 1,136 Views Citations
Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing It in Practice (Articles)

Diola Bagayoko

Journal of Modern Physics Vol.7 No.9, May 26, 2016

DOI: 10.4236/jmp.2016.79083 2,476 Downloads 5,137 Views Citations
This article belongs to the Special Issue on Density Functional Theory Research
Theoretical Design of Complex Molecule via Combination of Natural Lawsone and Synthetic Indoline D131 Dyes for Dye Sensitized Solar Cells Application (Articles)

Nyanda Madili, Alexander Pogrebnoi, Tatiana Pogrebnaya

Computational Chemistry Vol.6 No.4, October 31, 2018

DOI: 10.4236/cc.2018.64007 1,106 Downloads 2,665 Views Citations
Prototypicality Gradient and Similarity Measure: A Semiotic-Based Approach Dedicated to Ontology Personalization (Articles)

X. Aime, F. Furst, P. Kuntz, F. Trichet

Intelligent Information Management Vol.2 No.2, March 16, 2010

DOI: 10.4236/iim.2010.22009 4,073 Downloads 7,984 Views Citations
Evaluation of Stress Strain Patterns in a Stentless Aortic Valve and Its Leaflets (Articles)

Gideon Praveen Kumar, Lazar Mathew

Surgical Science Vol.2 No.1, January 29, 2011

DOI: 10.4236/ss.2011.21007 6,361 Downloads 10,141 Views Citations
Influence of E-Learning Environment Program on Pupils’ Instructional Approaches in Physics Measurement Lessons in Kenyan Secondary Schools (Articles)

Joel K Kiboss

Creative Education Vol.2 No.3, August 9, 2011

DOI: 10.4236/ce.2011.23033 7,145 Downloads 12,772 Views Citations
Magic of Language (Articles)

Bernard Korzeniewski

Open Journal of Philosophy Vol.3 No.4, October 10, 2013

DOI: 10.4236/ojpp.2013.34067 16,615 Downloads 34,421 Views Citations
A Public Value Based Framework for Evaluating the Performance of e-Government in China (Articles)

Wenlin Bai

iBusiness Vol.5 No.3B, November 7, 2013

DOI: 10.4236/ib.2013.53B006 6,361 Downloads 9,391 Views Citations
Comparative Study of Different Representations in Genetic Algorithms for Job Shop Scheduling Problem (Articles)

Vedavyasrao Jorapur, V. S. Puranik, A. S. Deshpande, M. R. Sharma

Journal of Software Engineering and Applications Vol.7 No.7, June 10, 2014

DOI: 10.4236/jsea.2014.77053 4,625 Downloads 7,482 Views Citations
Awareness of the Potential Threat of Cyberterrorism to the National Security (Articles)

Abdulrahman Alqahtani

Journal of Information Security Vol.5 No.4, September 19, 2014

DOI: 10.4236/jis.2014.54013 6,753 Downloads 10,914 Views Citations
Using Movie Scenes as Conceptual Framing Exemplars to Guide School Leaders in Thinking Reflectively about Organizational Change (Articles)

Joseph Claudet

Creative Education Vol.6 No.1, January 9, 2015

DOI: 10.4236/ce.2015.61001 11,875 Downloads 13,480 Views Citations
Nordic Container Port Sustainability Performance—A Conceptual Intelligent Framework (Articles)

Moulay Hicham Hakam

Journal of Service Science and Management Vol.8 No.1, January 22, 2015

DOI: 10.4236/jssm.2015.81002 3,943 Downloads 5,790 Views Citations
A Basic Discourse on Discipline for Novice Teachers (Articles)

Lucie Kucerova, Tereza Buchtova, Stefan Chudy, Pavel Neumeister

Open Journal of Social Sciences Vol.3 No.2, January 29, 2015

DOI: 10.4236/jss.2015.32012 2,915 Downloads 4,208 Views Citations

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