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Dissociation of multiple hydrogen molecules on the three-dimensional aluminium cluster: theoretical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 8, p. 1, doi. 10.1007/s00214-013-1378-0
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Association reaction between SiH and HO: a computational study of the reaction mechanism and kinetics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 8, p. 1, doi. 10.1007/s00214-013-1375-3
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- Article
Hydrophobic meddling in small water clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 8, p. 1, doi. 10.1007/s00214-013-1376-2
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- Article
Microscopic modes and free energies for topoisomerase I-DNA covalent complex binding with non-camptothecin inhibitors by molecular docking and dynamics simulations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 8, p. 1, doi. 10.1007/s00214-013-1379-z
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Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 8, p. 1, doi. 10.1007/s00214-013-1380-6
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- Article