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DFT Study of Methanol Adsorption on Vacancy and N-Doped Graphene and Comparing Them with Pristine Graphene.
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- Journal of Sciences, Islamic Republic of Iran, 2021, v. 32, n. 1, p. 53
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- Article
Magnetic Nanoparticle-Supported Basic Ionic Liquid: A Reusable Phase-Transfer Catalyst for Knoevenagel Condensation in Aqueous Medium.
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- Russian Journal of Organic Chemistry, 2022, v. 58, n. 1, p. 144, doi. 10.1134/S1070428022010201
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- Article
A mechanistic study of photo-oxidation of phenol and AB92 by AgBr/TiO<sub>2</sub>.
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- Research on Chemical Intermediates, 2019, v. 45, n. 10, p. 4885, doi. 10.1007/s11164-019-03867-4
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- Article
Molecular and dissociative adsorption of tetrachlorodibenzodioxin on M-doped graphenes (M = B, Al, N, P): pure DFT and DFT + VdW calculations.
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- Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04387-4
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Application of the corresponding states principle for density predictions based on melting point constants.
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- High Temperatures - High Pressures, 2014, v. 43, n. 4, p. 253
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- Article
Activity coefficient of monomer in different aggregates of a surfactant solution: a Lattice Monte Carlo Study.
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- Journal of the Iranian Chemical Society, 2013, v. 10, n. 2, p. 379, doi. 10.1007/s13738-012-0168-2
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- Article
Application of H-Point Standard Addition Method and Multivariate Calibration Methods to the Simultaneous Kinetic-Potentiometric Determination of Permanganate and Dichromate.
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- Journal of the Iranian Chemical Society, 2011, v. 8, n. 2, p. 449, doi. 10.1007/BF03249078
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- Article
DFT-B3LYP study of interactions between host biphenyl-1-aza-18-crown-6 ether derivatives and guest Cd<sup>2+</sup>: NBO, NEDA, and QTAIM analyses.
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- Journal of Molecular Modeling, 2016, v. 22, n. 7, p. 1, doi. 10.1007/s00894-016-3012-2
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- Article
Knoevenagel condensation versus Michael addition reaction in ionic-liquid-catalyzed synthesis of hexahydroquinoline: a SMD–DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2565-4
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- Article
Study of thermodynamic parameters in amphiphilic systems by lattice Monte Carlo: effect of tails and heads.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 1, p. 1, doi. 10.1007/s00214-005-0014-z
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- Article