Found: 9
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Adsorption Conformation of Comb-Shaped Polycarboxylate Ethers on Ettringite (100) Surface: An Atomic Scales Simulation.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 99, doi. 10.1142/S2737416521500071
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- Article
Efficient Cu Decorated Inorganic B<sub>12</sub>P<sub>12</sub> Nanoclusters for Sensing Toxic COCl<sub>2</sub> Gas: A Detailed DFT Study.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 85, doi. 10.1142/S273741652150006X
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- Article
Designing of 5,10-Dihydroindolo [3,2-b] Indole (DINI) Based Donor Materials for Small Molecule Organic Solar Cells.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 71, doi. 10.1142/S2737416521500058
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- Publication type:
- Article
Virtual Screening of Natural Curcumins and Related Compounds Against SARS-CoV-2.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 53, doi. 10.1142/S2737416521500046
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- Article
High Activity and Easily Hydrolyzable Sulfonylurea Inhibitor Design Based on Density Functional Theory Calculations.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 41, doi. 10.1142/S2737416521500034
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- Article
An Ultimate Investigation on the Adsorption of Amantadine on Pristine and Decorated Fullerenes C59X (X=Si, Ge, B, Al, Ga, N, P, and As): A DFT, NBO, and QTAIM Study.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 23, doi. 10.1142/S2737416521500022
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- Article
Comparison of Electrostatic Potential Obtained From Different Atomic Point Charges Calculation Methods for a Large Set of Molecules.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 13, doi. 10.1142/S2737416521500010
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- Article
Towards More Biology-Oriented Papers: Name Change of the Journal of Theoretical and Computational Chemistry to Journal of Computational Biophysics and Chemistry.
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- 2021
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- Publication type:
- Editorial
Computational Studies of 3D-QSAR on a Highly Active Series of Naturally Occurring Nonnucleoside Inhibitors of HIV-1 RT (NNRTI).
- Published in:
- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 3, doi. 10.1142/S2737416520500362
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- Publication type:
- Article