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A density functional theory study of simplest nanocomposites formed by graphene oxide and polyvinyl alcohol: geometry, interaction energy and vibrational spectrum.
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 7, p. 1, doi. 10.1007/s00894-020-04447-9
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- Article
Substrate-assisted mechanism of catalytic hydrolysis of misaminoacylated tRNA required for protein synthesis fidelity.
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- Biochemical Journal, 2019, v. 476, n. 4, p. 719, doi. 10.1042/BCJ20180910
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- Article
Catalytic Pyrolysis of Lignin Model Compound (Ferulic Acid) over Alumina: Surface Complexes, Kinetics, and Mechanisms.
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- Catalysts (2073-4344), 2021, v. 11, n. 12, p. 1508, doi. 10.3390/catal11121508
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- Article
Decomposition of 2,4,6-trinitrotoluene (TNT) and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) by Fe<sub>13</sub>O<sub>13</sub> nanoparticle: density functional theory study.
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- Environmental Science & Pollution Research, 2022, v. 29, n. 45, p. 68522, doi. 10.1007/s11356-022-20547-w
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- Article
A theoretical study on ascorbic acid dissociation in water clusters.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2128-5
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- Article