Works matching IS 1432881X AND DT 2013 AND VI 132 AND IP 9
Results: 8
Reaction mechanism on the activation of ethane C-H and C-C bonds by a diplatinum cluster.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1387-z
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Depletion of atmospheric ozone by nitrogen dioxide: a bifurcated reaction pathway.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1382-4
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Nonlinear optical properties of DPO and DMPO: a theoretical and computational study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1384-2
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Ab initio molecular dynamics studies on the growth of ammonium chloride clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1381-5
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Transport properties of nanowires with alternating organosilanylene and oligoethenylene units.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1386-0
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DFT insight into o-semiquinone radicals and Ca ion interaction: structure, g tensor, and stability.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1383-3
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The influence of molecular solid packings on the photoluminescence and carrier transport properties for two bow-shaped thiophene compounds: a theoretical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1377-1
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QM/MM study of the conversion mechanism of lysine to methylornithine catalyzed by methylornithine synthase (PylB).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 9, p. 1, doi. 10.1007/s00214-013-1385-1
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