Works matching IS 1432881X AND DT 2007 AND VI 118 AND IP 4
Results: 9
Metal–metal bonding in Re<sub>2</sub>Cl from the analysis of domain averaged fermi holes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 791, doi. 10.1007/s00214-007-0329-z
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- Article
The performance of the Hartree–Fock–Wigner correlation model for light diatomic molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 777, doi. 10.1007/s00214-007-0360-0
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Symmetry numbers and chemical reaction rates.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 813, doi. 10.1007/s00214-007-0328-0
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Theoretical study on the potential energy surface of NC<sub>3</sub>P isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 739, doi. 10.1007/s00214-007-0366-7
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- Article
Can the MaxFlux algorithm describe bifurcating paths?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 769, doi. 10.1007/s00214-007-0290-x
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Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 755, doi. 10.1007/s00214-007-0358-7
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- Article
A practical scheme for ab initio determination of a crystal structure based on the Dirac equation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 785, doi. 10.1007/s00214-007-0317-3
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A comparison between the absorption properties of the regular and F<sub> s </sub>-defected MgO (100) surface.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 807, doi. 10.1007/s00214-007-0324-4
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- Article
Additional peaks in the cluster size distribution of amphiphile + water systems: a clue for shape/phase transition or statistical uncertainty.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 799, doi. 10.1007/s00214-007-0327-1
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- Article