Works matching IS 1432881X AND DT 2015 AND VI 134 AND IP 7
Results: 12
Theoretical study on photophysical properties of multifunctional star-shaped molecules with 1,8-naphthalimide core for organic light-emitting diode and organic solar cell application.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1693-8
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CO adsorption complexes in zeolites: How does the inclusion of dispersion interactions affect predictions made from DFT calculations? The case of Na-CHA.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1692-9
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Complexes of nitric oxide with water and imidazole.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1691-x
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Designing a paradigm for parameter-free double-hybrid density functionals through the adiabatic connection path.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1689-4
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A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1688-5
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Effects of monohydration on an adenine–thymine base pair.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1686-7
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Electron density Laplacian and halogen bonds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1685-8
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Europium-doped silicon clusters EuSin (n = 3–11) and their anions: structures, thermochemistry, electron affinities, and magnetic moments.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1684-9
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Computational investigation on the intramolecular resonance-inhibited hydrogen bonding: a new type of interaction versus the RAHB model.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1683-x
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Hermitian "chemical" Hamiltonian: an alternative ab initio method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1682-y
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The effects of internal molecular dynamics on the evaporation/condensation of n-dodecane.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1681-z
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Isotope effects on the formation of the lowest rovibrational level of NaH molecule via pump–dump photoassociation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 7, p. 1, doi. 10.1007/s00214-015-1680-0
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