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 331 Downloads 920 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 761 Downloads 1,581 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 579 Downloads 1,295 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 315 Downloads 788 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 246 Downloads 655 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 1,084 Downloads 1,758 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 458 Downloads 943 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 892 Downloads 1,263 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 1,058 Downloads 1,957 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 776 Downloads 1,465 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 6,409 Downloads 11,891 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 5,358 Downloads 5,916 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 129 Downloads 327 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 4,885 Downloads 9,268 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 5,631 Downloads 8,339 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 3,685 Downloads 5,335 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 7,134 Downloads 13,646 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 4,349 Downloads 6,637 Views Citations
Effect of Tubular Chiralities and Diameters of Single Carbon Nanotubes on Gas Sensing Behavior: A DFT Analysis (Articles)

A. A. EL-Barbary, Kh. M. Eid, M. A. Kamel, H. M. Osman, G. H. G. H. Ismail

J. of Surface Engineered Materials and Advanced Technology Vol.4 No.2，April 18, 2014

DOI: 10.4236/jsemat.2014.42010 5,623 Downloads 7,272 Views Citations
On DFT Molecular Simulation for Non-Adaptive Kernel Approximation (Articles)

Maharavo Randrianarivony

Advances in Materials Physics and Chemistry Vol.4 No.6，June 18, 2014

DOI: 10.4236/ampc.2014.46013 2,239 Downloads 3,084 Views Citations

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