Works matching IS 1432881X AND DT 2013 AND VI 132 AND IP 4
Results: 10
Simulating the optical properties of CdSe clusters using the RT-TDDFT approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1342-z
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Hexagonal boron nitride on transition metal surfaces.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1350-z
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Numerical investigation of the elastic scattering of hydrogen (isotopes) and helium at graphite (0001) surfaces at beam energies of 1 to 4 eV using a split-step Fourier method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1337-9
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Exohedral interaction in cationic lithium metallofullerenes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1346-8
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Rank-dependent orientational relaxation in an ionic liquid: an all-atom simulation study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1348-6
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A theoretical investigation of the CO-philicity of amides and carbamides.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-012-1326-4
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Cooperativity of hydrogen and halogen bond interactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1347-7
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From clusters to liquid: what are the preferred ways for benzene and pyrrole to interact?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1340-1
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Melting transition of confined Lennard-Jones solids in slit pores.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1351-y
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Isotope effects on the dynamics properties and reaction mechanism in the Cl(P) + NH reaction: a QCT and QM study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 4, p. 1, doi. 10.1007/s00214-013-1349-5
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