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Quantum chemical study of the mechanism of the palladium-catalysed C-H acetoxylation of benzene.
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- Progress in Reaction Kinetics & Mechanism, 2019, v. 44, n. 1, p. 55, doi. 10.1177/1468678319830487
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- Article
Conformational stability, barriers to internal rotations, and normal coordinate analysis of acetone and its <sup>2</sup>H-isotopomers.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 10, p. 818, doi. 10.1139/cjc-2016-0163
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- Article
Influence of fluorine substitution on the molecular structure, vibrational assignment, Cu–O bond strength and biological properties by comparing copper (II) trifluorobenzoylacetonate and benzoylacetonate complexes.
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- Journal of the Iranian Chemical Society, 2023, v. 20, n. 12, p. 2949, doi. 10.1007/s13738-023-02890-y
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- Article
Conformational analysis, tautomerization, and vibrational spectra of methyl acetoacetate.
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- Journal of the Iranian Chemical Society, 2022, v. 19, n. 4, p. 1081, doi. 10.1007/s13738-021-02362-1
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- Article
Vibrational assignments, conformational analysis, and molecular structures of $$\left[ {\text{C}_{\text{n}} \text{mim}} \right]\left[ {\text{NTF}_{\text{2}} } \right]$$ ( n = 2, 4, 6, and 8) imidazolium-based ionic liquids: a combined experimental and quantum chemical approach
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- Journal of the Iranian Chemical Society, 2017, v. 14, n. 6, p. 1281, doi. 10.1007/s13738-017-1079-z
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- Article
Molecular structure and intramolecular hydrogen bonding in 2-hydroxybenzophenones: A theoretical study.
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- Journal of Chemical Sciences, 2014, v. 126, n. 4, p. 919, doi. 10.1007/s12039-014-0651-7
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- Article
Theoretical study of intramolecular hydrogen bonding in the halo derivatives of 1-amino-3-imino-prop-1-ene.
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- Journal of Chemical Sciences, 2013, v. 125, n. 4, p. 939, doi. 10.1007/s12039-013-0466-y
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- Article
Methane storage in homogeneous armchair open-ended single-walled boron nitride nanotube triangular arrays: a grand canonical Monte Carlo simulation study.
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- Journal of Molecular Modeling, 2012, v. 18, n. 6, p. 2699, doi. 10.1007/s00894-011-1246-6
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- Article
Influence of temperature, pressure, nanotube's diameter and intertube distance on methane adsorption in homogeneous armchair open-ended SWCNT triangular arrays.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 2, p. 231, doi. 10.1007/s00214-010-0836-1
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- Article