Results 71 to 80 of about 993,710 (249)

The Theoretical Description for Chlorantraniliprole Electrochemical Determination, Assisted by Squaraine Dye – Nano-CuS Composite

Orbital: The Electronic Journal of Chemistry, 2021
The theoretical description for the chlorantraniliprole electrochemical determination, assisted by the hybrid composite of squaraine dye with CuS nanoparticles has been described.
Volodymyr V. Tkach, Marta V. Kushnir, Silvio Cesar de Oliveira, Hanifa Zh. Salomova, Dilafruz B. Razhabova, Dilfuza M. Musayeva, Laziz N. Niyazov, Yana G. Ivanushko, Mariia P. Mytchenok, Oleksandra V. Ahafonova, Bohdana Y. Banul, Tetiana P. Honchar, Petro I. Yagodynets´, Zholt O. Kormosh, Lucinda Vaz dos Reis, Konon L. Bagrii, Lyubov T. Strutynska, Inna P. Danyliuk, Nataliia M. Gordiyenko, Yulia V. Britsyna, Maryna V. Parkhomenko, Mariia M. Levon   +21 more
doaj  

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Heliyon, 2020
1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectral ...
Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Goncagül Serdaroğlu, Ali Shokuhi Rad, M.S. Roxy   +7 more
doaj   +1 more source

Theoretical Organic Chemistry [PDF]

Nature, 1955
Theoretical Principles of Organic Chemistry By Prof. Walter Huckel. Vol. 1. (Translated from the corrected seventh German edition by Prof. F. H. Rathmann.) Pp. xi + 904. (Amsterdam: Elsevier Publishing Company; London: Cleaver-Hume Press, Ltd., 1955.) 77s. 6d.
openaire   +2 more sources

Calcined magnesite as an adsorbent for cationic and anionic dyes: characterization, adsorption parameters, isotherms and kinetics study

Heliyon, 2018
The ability of calcined magnesite for Methylene Blue (MB), Direct Red 81 (DR81), Methyl Orange (MO) and Crystal Violet (CV) dye removal was evaluated in this study.
T. Ngulube, J.R. Gumbo, V. Masindi, A. Maity   +3 more
doaj   +1 more source

Multilayered plasmonic nanostructures for solar energy harvesting

, 2018
Optical properties of core-shell-shell Au@SiO2@Au nanostructures and their solar energy harvesting applications are theoretically investigated using Mie theory and heat transfer equations.
Le, Nam B., Lien, Nghiem T. H., Phan, Anh D., Wakabayashi, Katsunori   +3 more
core   +1 more source

Implications of ideas on super-hydrophobicity for water repellent soil [PDF]

, 2007
Water repellence is an important factor in soil erosion due to its role in inhibiting the re-establishment of vegetation after fire and due to its enhancement of run-off.
Adamson, Aussillous, Bico, Bico, Blossey, Bán, Cassie, DeBano, Dekker, Dekker, Dekker, Dekker, Doerr, Doerr, Doerr, Fox, Henry, Karnok, Letey, Mahadevan, McHale, Pike, Quéré, Roy, Roy, Shirtcliffe, Shirtcliffe, Shirtcliffe, Shirtcliffe, Shirtcliffe, Van't Woudt, Wenzel   +31 more
core   +1 more source

Generalized Circuit Topology of Folded Linear Chains

iScience, 2020
Summary: A wide range of physical systems can be formally mapped to a linear chain of sorted objects. Upon introduction of intrachain interactions, such a chain can “fold” to elaborate topological structures, analogous to folded linear polymer systems ...
Anatoly Golovnev, Alireza Mashaghi
doaj   +1 more source

A forecast for theoretical chemistry [PDF]

Application of quantum mechanics in theoretical ...
Hirschfelder, J. O.
core   +1 more source

Core repulsion effects in alkali trimers

, 2009
The present paper is related to a talk presented during the Symposium on Coherent Control and Ultracold Chemistry held during the Sixth Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI, July 2008).
Aymar, Aymar, Aymar, Baranov, Barnett, Bartenstein, Bethlem, Bloch, Bourdel, Boys, Chin, Chin, Chin, Cho, Coker, Colavecchia, Cvitaš, Cvitaš, Cvitaš, Danzl, Deiglmayr, Deiglmayr, DeMille, DeMille, DeMille, Donley, Durand, Durand, Foucrault, Gerlich, Gilijamse, Gorál, Greiner, Hampel, Herbig, Higgins, Hinds, Hudson, Hudson, Hudson, Huron, Hutson, Hutson, Iron, Jaksch, Jeung, Jochim, Jones, Karr, Kawall, Kotochigova, Kozlov, Krems, Köhler, Lang, Li, Li, Li, Magnier, Magnier, Mark, Metz, Müller, Ni, Pavolini, Quéméner, Quéméner, Quéméner, Rabl, Rabl, Ravaine, Regal, Schiller, Simoni, Soldán, Soldán, Soldán, Spiegelmann, Staanum, Stwalley, van de Meerakker, van Veldhoven, Viteau, Xie, Zahzam, Zelevinsky, Zwierlein, Zwierlein, Čížek   +88 more
core   +2 more sources

Chemoinformatic studies on some inhibitors of dopamine transporter and the receptor targeting schizophrenia for developing novel antipsychotic agents

Heliyon, 2020
Chemoinformatic studies were carried on some inhibitors of dopamine transporter to develop a predictive and robust QSAR model and also to elucidate binding mode and molecular interactions between the ligands (inhibitors) and the receptor targeting ...
Sabitu Babatunde Olasupo, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba   +3 more
doaj   +1 more source