Works matching IS 1432881X AND DT 2009 AND VI 122 AND IP 1/2
Results: 11
An evaluation of nitro derivatives of cubane using ab initio and density functional theories.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 101, doi. 10.1007/s00214-008-0489-5
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- Article
A theoretical investigation of intermolecular interaction of a phthalimide based “on–off” sensor with different halide ions: tuning its efficiency and electro-optical properties.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 77, doi. 10.1007/s00214-008-0486-8
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- Article
Theoretical study on the reaction mechanism of CH<sub>2</sub>SH + NO<sub>2</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 67, doi. 10.1007/s00214-008-0485-9
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- Article
Curvilinear and surficial electron holes in atoms and molecules.
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- 2009
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- Publication type:
- Letter
Ab Initio rovibrational spectrum of the NaH<sub>2</sub><sup>+</sup> ion–quadrupole complex.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 87, doi. 10.1007/s00214-008-0487-7
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- Article
Theoretical studies on the reactions OH + CH<sub>3</sub>COCCl<sub>2</sub> X ( X = F, Cl, Br).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 107, doi. 10.1007/s00214-008-0490-z
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- Article
Thermodynamics of the gas-phase reactions in chemical vapor deposition of silicon carbide with methyltrichlorosilane precursor.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 1, doi. 10.1007/s00214-008-0478-8
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- Article
Quasirelativistic energy-consistent 4f-in-core pseudopotentials for tetravalent lanthanide elements.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 23, doi. 10.1007/s00214-008-0481-0
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- Article
Theoretical studies on electronic structures and spectroscopic properties of a series of novel β-diketonate Os(II) complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 31, doi. 10.1007/s00214-008-0482-z
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- Article
Ab initio excitation spectrum of the weak H···CO interaction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 43, doi. 10.1007/s00214-008-0483-y
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- Article
The electronic structure of the F<sub>2</sub>, Cl<sub>2</sub>, Br<sub>2</sub> molecules: the description of charge-shift bonding within the generalized valence bond ansatz.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 122, n. 1/2, p. 51, doi. 10.1007/s00214-008-0484-x
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- Article