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 886 Downloads 2,540 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 1,167 Downloads 2,913 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 1,017 Downloads 2,768 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 768 Downloads 2,182 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 701 Downloads 1,827 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 294 Downloads 1,079 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 1,469 Downloads 2,778 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 843 Downloads 2,179 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 1,257 Downloads 2,139 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 1,584 Downloads 3,405 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 1,139 Downloads 2,819 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 7,488 Downloads 14,409 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 5,804 Downloads 7,034 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 453 Downloads 2,837 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 181 Downloads 716 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 5,471 Downloads 10,512 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 6,483 Downloads 9,785 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 4,603 Downloads 7,523 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 7,990 Downloads 14,976 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 4,840 Downloads 7,638 Views Citations

First <12 3 ...>Last

	[email protected]
	+86 18163351462 (WhatsApp)
	1655362766
	SCIRP WeChat

All	Title	Abstract	Keywords
DOI	Author	Journal	Affiliation
ISSN	Subject

	[email protected]
	+86 18163351462(WhatsApp)
	1655362766

	Paper Publishing WeChat

Browse Subjects

Publish with us

Home

About SCIRP

Service

Policies