Conceptual DFT - Articles - Scientific Research Publishing

Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors (Articles)

Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.10 No.4，December 31, 2020

DOI: 10.4236/cmb.2020.104008 660 Downloads 1,865 Views Citations
Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors (Articles)

Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.8 No.2，June 7, 2018

DOI: 10.4236/cmb.2018.82004 1,018 Downloads 2,344 Views Citations
Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter (Articles)

Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.9 No.1，March 18, 2019

DOI: 10.4236/cmb.2019.91002 848 Downloads 2,194 Views Citations
Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and Its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory (Articles)

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.9 No.4，November 25, 2019

DOI: 10.4236/cmb.2019.94008 607 Downloads 1,663 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 514 Downloads 1,303 Views Citations
Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties (Articles)

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.13 No.3，September 13, 2023

DOI: 10.4236/cmb.2023.133003 150 Downloads 594 Views Citations
Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation (Articles)

Juan Frau, Daniel Glossman-Mitnik

Computational Chemistry Vol.5 No.2，April 28, 2017

DOI: 10.4236/cc.2017.52006 1,284 Downloads 2,283 Views Citations
Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone (Articles)

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.9 No.2，June 28, 2019

DOI: 10.4236/cmb.2019.92004 676 Downloads 1,737 Views Citations
Designing Sensors Using Nano-Junctions (Articles)

Vijay K. Lamba, O. P. Garg

Journal of Applied Mathematics and Physics Vol.4 No.12，December 29, 2016

DOI: 10.4236/jamp.2016.412217 1,108 Downloads 1,749 Views Citations
Structural and Spectral (IR, NMR and UV/Visible) Properties of Newly Designed Boronic Acid Derivatives Containing DO3A Sensitive to Uranyl Ion: A DFT and TD-DFT Study (Articles)

Kübra Sarikavak, Fatma Sevin

Computational Chemistry Vol.5 No.4，October 16, 2017

DOI: 10.4236/cc.2017.54012 1,378 Downloads 2,776 Views Citations
Quantum Chemical Studies of Some Hydrazone Derivatives (Articles)

Mahougbe T. A. Kpota Houngue, Maurice N’bouke, Bardieu Atchade, Rodrigue Chabi Doco, Urbain A. Kuevi, Gaston A. Kpotin, Salomé D. S. Kpoviessi, Yacole G. S. Atohoun, Michael Badawi, Jean-Baptiste Mensah

Computational Chemistry Vol.6 No.1，February 28, 2018

DOI: 10.4236/cc.2018.61001 995 Downloads 2,266 Views Citations
Effect of Conceptual Change Oriented Instruction on Students’ Conceptual Understanding and Decreasing Their Misconceptions in DC Electric Circuits (Articles)

Erdal Taşlıdere

Creative Education Vol.4 No.4，April 15, 2013

DOI: 10.4236/ce.2013.44041 7,049 Downloads 13,279 Views Citations
A Critique of Mcdowell’s Demonstrative Thought in the Cognitive Process of Perception (Articles)

Emmanuel Ola Akintona

Open Journal of Philosophy Vol.4 No.3，August 20, 2014

DOI: 10.4236/ojpp.2014.43045 5,625 Downloads 6,496 Views Citations
Cognitive Translation Studies over the Last Decade: Review and Prospect (Articles)

Shuang Lu

Open Access Library Journal Vol.8 No.8，August 11, 2021

DOI: 10.4236/oalib.1107765 354 Downloads 1,574 Views Citations
An Exploration and Analysis of Conceptual Engineering in the Philosophy of Language (Articles)

Waliye Abuduwayiti

Open Journal of Philosophy Vol.14 No.3，July 31, 2024

DOI: 10.4236/ojpp.2024.143038 85 Downloads 248 Views Citations
A New Methodology for Process Modeling of Workflows (Articles)

Sabah Al-Fedaghi, Rashid Alloughani, Mohammed Al Sanousi

Journal of Software Engineering and Applications Vol.5 No.8，August 28, 2012

DOI: 10.4236/jsea.2012.58064 5,272 Downloads 9,995 Views Citations
Theoretical Study of Dibenzothiophene Based Electron Transport Materials (Articles)

Asanga B. Padmaperuma

Advances in Materials Physics and Chemistry Vol.2 No.4，December 31, 2012

DOI: 10.4236/ampc.2012.24033 6,140 Downloads 9,039 Views Citations
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses (Articles)

Nyiang Kennet Nkungli, Julius Numbonui Ghogomu, Ludovid Ngouo Nogheu, Shridhar Ramachandra Gadre

Computational Chemistry Vol.3 No.3，October 28, 2015

DOI: 10.4236/cc.2015.33005 4,253 Downloads 6,564 Views Citations
Structural and Electronic Properties of Impurities on Boron Nitride Nanotube (Articles)

Gabrielle P. Soares, Silvete Guerini

Journal of Modern Physics Vol.2 No.8，August 12, 2011

DOI: 10.4236/jmp.2011.28102 7,711 Downloads 14,333 Views Citations
Ab-Initio Structural Study of SrMoO₃ Perovskite (Articles)

Avinash Daga, Smita Sharma

Journal of Modern Physics Vol.3 No.12，December 21, 2012

DOI: 10.4236/jmp.2012.312238 4,616 Downloads 7,156 Views Citations

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