Works matching IS 1432881X AND DT 2012 AND VI 131 AND IP 7
Results: 9
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition: a comparative study of dissociation enthalpies.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1238-3
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- Article
Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1234-7
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- Article
Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1244-5
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- Article
Relativistic segmented contraction basis sets with core-valence correlation effects for atoms La through Lu: Sapporo-DK- nZP sets ( n = D, T, Q).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1247-2
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S graphs as model systems for icosahedral Jahn-Teller problems.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1246-3
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- Article
Why the traditional concept of local hardness does not work.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1223-x
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Calculation of solvation free energies of Li and O ions and neutral lithium-oxygen compounds in acetonitrile using mixed cluster/continuum models.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1250-7
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Broken symmetry DFT calculations of exchange coupling constants for manganese-porphyrin quasi-one-dimensional molecular magnets.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1249-0
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Mechanism of ketone hydrosilylation using NHC-Cu(I) catalysts: a computational study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 7, p. 1, doi. 10.1007/s00214-012-1253-4
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- Article