Works matching IS 1432881X AND DT 2010 AND VI 126 AND IP 1/2
Results: 8
Theoretical study on the structures, isomerization and stability of SiC<sub>4</sub> isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 15, doi. 10.1007/s00214-009-0646-5
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DFT study of the electronic, vibrational, and optical properties of SnO<sub>2</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 39, doi. 10.1007/s00214-009-0672-3
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Phenomenological chemical reactivity theory for mobile electrons.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 45, doi. 10.1007/s00214-009-0674-1
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Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 75, doi. 10.1007/s00214-009-0676-z
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Computational methods for analysis of an unsaturated carbocycle: heptafulvene.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 55, doi. 10.1007/s00214-009-0675-0
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Theoretical study in gas phase of linear and nonlinear optical properties of the ortho-, meta- and para-nitrophenol isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 27, doi. 10.1007/s00214-009-0668-z
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Theoretical study of the competitive decomposition and isomerization of 1-hexyl radical.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 87, doi. 10.1007/s00214-009-0685-y
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Cooperativity in multiple unusual weak bonds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 1/2, p. 1, doi. 10.1007/s00214-009-0690-1
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- Article