Pyrazolopyrimidine Derivative; Corrosion Inhibitors; Adsorption; DFT Calculations; Fukui Function - Articles

Analysis of Iron, Scandium, Samarium, and Zinc in Commercial Fertilizers and the Chemistry behind the Stability of These Metals in the Fertilizers (Articles)

Md Sajjadur Rahman, Syed Mohammod Hossain, Mir Tamzid Rahman, Mahbub Kabir

Journal of Agricultural Chemistry and Environment Vol.8 No.3，August 16, 2019

DOI: 10.4236/jacen.2019.83013 811 Downloads 1,641 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 604 Downloads 1,650 Views Citations
Anticancer Activities and QSAR Study of Novel Agents with a Chemical Profile of Benzimidazolyl-Retrochalcone (Articles)

Ouattara Mahama, Koné Aboudramane, Koné Soleymane, Collet Sylvain, Diomandé Sekou, Sissouma Drissa

Open Journal of Medicinal Chemistry Vol.10 No.3，August 17, 2020

DOI: 10.4236/ojmc.2020.103006 636 Downloads 2,050 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 509 Downloads 1,290 Views Citations
Comparative Studies of Some Novel Cu(II) Polymeric Complexes Derived from Cyanoacetylhydrazine (CAH; L). The Role of Solvents Used on the Structure and Geometry of the Isolated Cu²⁺ Complexes (Articles)

Mohsen M. Mostafa

Open Journal of Inorganic Chemistry Vol.11 No.4，October 20, 2021

DOI: 10.4236/ojic.2021.114008 315 Downloads 1,049 Views Citations
Vibrational, Electronic and Structural Study of Sprayed ZnO Thin Film Based on the IR-Raman Spectra and DFT Calculations (Articles)

Bechir Ouni, Tarek Larbi, Mosbah Amlouk

Crystal Structure Theory and Applications Vol.11 No.2，May 31, 2022

DOI: 10.4236/csta.2022.112002 312 Downloads 1,410 Views Citations
NBO Analysis by ONIOM and DFT (B3LYP) Calculations of Intramolecular and Intermolecular Interactions of Artemisinin, Quinine and Thirteen Manzamenones with H₂O or Alanine (Articles)

Atse Adepo Jacques, Kone Soleymane, Diomande Sékou, Et Bamba El-Hadji Sawaliho

Journal of Materials Science and Chemical Engineering Vol.10 No.10，October 31, 2022

DOI: 10.4236/msce.2022.1010006 188 Downloads 770 Views Citations
Detailed Quantum Mechanical QSAR Analysis of Certain Aminopyrimidoisoquinolinequinones with Anticancer Activity (Articles)

Mukhtaar Qaaed S. Sultan, Mohamed Osman El-Faki, Inas Osman Khojali Mohammed

Computational Chemistry Vol.11 No.1，January 20, 2023

DOI: 10.4236/cc.2023.111002 127 Downloads 620 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
DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives (Articles)

Mohammad Ahad Hossain, Shahin Sultana, Mohammad Mazherul Islam, Sonia Akhter, Faria Nur, Fatima Majabin, Kantom Islam, Kazi Jawad Hossain, Yasuhiro Ozeki, Sarkar M. A. Kawsar

Computational Chemistry Vol.11 No.4，October 31, 2023

DOI: 10.4236/cc.2023.114006 291 Downloads 1,071 Views Citations
Structural, Electronic and Optical Properties of Sc_xAl_1-xN alloys within DFT Calculations (Articles)

Asma Said, Yasmina Oussaifi, Moncef Said

Journal of Applied Mathematics and Physics Vol.12 No.2，February 29, 2024

DOI: 10.4236/jamp.2024.122038 188 Downloads 760 Views Citations
Novel Activated Carbon Monoliths for Methane Adsorption Obtained from Coffee Husks (Articles)

Liliana Giraldo, Juan Carlos Moreno-Piraján

Materials Sciences and Applications Vol.2 No.5，May 5, 2011

DOI: 10.4236/msa.2011.25043 9,305 Downloads 16,436 Views Citations
Excess adsorption of biomolecules on soft surfaces: Adsorption of DNA, proteins and lactose on fatty surfaces (Articles)

Dipta Shani Dutta, Dipti Kumar Chattoraj, Parimal Chattopadhyay, Kali P. Das

Advances in Biological Chemistry Vol.3 No.1，February 22, 2013

DOI: 10.4236/abc.2013.31006 3,785 Downloads 6,783 Views Citations
Adsorption of Cr(III) from an Aqueous Solution by Chitosan Beads Modified with Sodium Dodecyl Sulfate (SDS) (Articles)

Munkhpurev Bat-Amgalan, Zoltuya Khashbaatar, David Eva Vanessa Anak, Muhammad Nabil Md Sari, Naoto Miyamoto, Naoki Kano, Hee-Joon Kim, Ganchimeg Yunden

Journal of Environmental Protection Vol.12 No.11，November 26, 2021

DOI: 10.4236/jep.2021.1211055 401 Downloads 2,148 Views Citations
Inhibition of the Renin-Angiotensin System and Cardiovascular Mortality in Chronic Hemodialysis Patients (Articles)

Kiyotsugu Omae, Tetsuya Ogawa, Masao Yoshikawa, Michihiro Mitobe, Kosaku Nitta

International Journal of Clinical Medicine Vol.2 No.2，May 3, 2011

DOI: 10.4236/ijcm.2011.22011 5,428 Downloads 9,148 Views Citations
The effect of nitrification inhibitor 3,4-dimethylpyrazole phosphate (DMPP) on nitrifying organism populations under in vitro conditions (Articles)

David Beltran-Rendon, Kenne Rico-Fragozo, Lina Farfan-Caceres, Hermann Restrepo-Diaz, Lilliana Hoyos-Carvajal

Agricultural Sciences Vol.2 No.3，August 8, 2011

DOI: 10.4236/as.2011.23027 5,388 Downloads 9,815 Views Citations
Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations (Articles)

Omar Deeb, Sherin Alfalah, Matheus P. Freitas, Elaine F. F. da Cunha, Teodorico C. Ramalho

Journal of Biophysical Chemistry Vol.3 No.1，February 15, 2012

DOI: 10.4236/jbpc.2012.31008 6,014 Downloads 10,422 Views Citations
Valproic Acid, a Drug with Multiple Molecular Targets Related to Its Potential Neuroprotective Action (Articles)

José Christian Machado Ximenes, Emilio Crisóstomo Lima Verde, Maria da Graça Naffah-Mazzacoratti, Glauce Socorro de Barros Viana

Neuroscience and Medicine Vol.3 No.1，March 2, 2012

DOI: 10.4236/nm.2012.31016 9,579 Downloads 16,451 Views Citations
Isolation and activation of collagenase from fish processing waste (Articles)

Said M. Daboor, Suzanne M. Budge, Abdel E. Ghaly, Marianne S. Brooks, Deepika Dave

Advances in Bioscience and Biotechnology Vol.3 No.3，June 21, 2012

DOI: 10.4236/abb.2012.33028 9,779 Downloads 15,911 Views Citations
Synthesis of Vildagliptin-β-O-Glucuronide (Articles)

Yansong Jack Lu, Yugang Liu, Mahavir Prashad, Wen-Chung Shieh

Advances in Chemical Engineering and Science Vol.2 No.3，July 11, 2012

DOI: 10.4236/aces.2012.23045 5,673 Downloads 9,943 Views Citations

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