Works matching IS 1432881X AND DT 2008 AND VI 119 AND IP 4
Results: 11
Theoretical studies on the reactions of hydroxyl radicals with trimethylsilane and tetramethylsilane.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 319, doi. 10.1007/s00214-007-0387-2
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- Article
Theoretical studies on the mechanisms of NCCO + O<sub>2</sub> reaction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 297, doi. 10.1007/s00214-007-0383-6
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- Article
Geometry, electronic structure and energy barriers of all possible isomers of Fe<sub>2</sub>C<sub>3</sub> nanoparticle.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 313, doi. 10.1007/s00214-007-0385-4
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- Article
Shift equations iteration solution to n-level close coupled equations, and the two-level nonadiabatic tunneling problem revisited.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 383, doi. 10.1007/s00214-007-0395-2
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- Article
Global warming potential predictions for hydrofluoroethers with two carbon atoms.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 369, doi. 10.1007/s00214-007-0394-3
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- Article
Modeling of the solid-state packing of charged chains (PEDOT) in the presence of the counterions (TSA) and the solvent (DEG).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 305, doi. 10.1007/s00214-007-0384-5
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- Article
Counter-ion effect in the nucleophilic substitution reactions at silicon: a G2M(+) level theoretical investigation.
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- 2008
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- Letter
Theoretical predication of third-order optical nonlinearities of [Al<sub>4</sub>MAl<sub>4</sub>]<sup> n−</sup> ( n = 0–2, M = Ti, V and Cr) clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 329, doi. 10.1007/s00214-007-0388-1
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- Article
The Si-doped planar tetracoordinate carbon (ptC) unit CAl<sub>3</sub>Si<sup>−</sup> could be used as a building block or inorganic ligand during cluster-assembly.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 335, doi. 10.1007/s00214-007-0389-0
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- Article
Structural and vibrational theoretical analysis of protonated formaldehyde in its $$\tilde{X}^{1} A^{\prime}$$ ground electronic state.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 343, doi. 10.1007/s00214-007-0392-5
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- Article
Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 4, p. 355, doi. 10.1007/s00214-007-0393-4
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- Article