Works matching IS 1432881X AND DT 2009 AND VI 123 AND IP 5/6
Results: 13
Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 383, doi. 10.1007/s00214-009-0523-2
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- Article
Informatics and magnetic behavior of [Fe<sub>6</sub>S<sub>6</sub>]<sup>3+</sup> superclusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 513, doi. 10.1007/s00214-009-0572-6
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- Article
Calculations and assignments of endohedral helium-3 chemical shifts of open-cage fullerenes and higher fullerenes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 375, doi. 10.1007/s00214-009-0518-z
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- Article
Theoretical analysis on yellow emission of gallium nitride with vacancy defects or impurities.
- Published in:
- 2009
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- Publication type:
- Letter
Is high electric field capable of selectively inducing a covalent-like bond between polar and non-polar molecular species?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 501, doi. 10.1007/s00214-009-0570-8
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- Article
Locating seam minima for macromolecular systems.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 477, doi. 10.1007/s00214-009-0567-3
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- Article
DNA bindings of a novel anticancer drug, trans-[PtCl<sub>2</sub>(isopropylamine)(3-picoline)], and kinetic competition of purine bases with protein residues in the bifunctional substitutions: a theoretical DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 455, doi. 10.1007/s00214-009-0557-5
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- Publication type:
- Article
Structure and stability of AuXe ( n = 1–3, Z = −1, 0, +1) clusters.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 469, doi. 10.1007/s00214-009-0562-8
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- Article
Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 487, doi. 10.1007/s00214-009-0569-1
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- Publication type:
- Article
A theoretical study of the thermodynamics and kinetics of small organosulfur compounds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 391, doi. 10.1007/s00214-009-0528-x
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- Publication type:
- Article
An adaptive density-guided approach for the generation of potential energy surfaces of polyatomic molecules.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 413, doi. 10.1007/s00214-009-0532-1
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- Publication type:
- Article
Theoretical study on the mechanism of C<sub>2</sub>Cl<sub>3</sub> + NO<sub>2</sub> reaction.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 431, doi. 10.1007/s00214-009-0549-5
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- Publication type:
- Article
Density functional study on rare gas-noble metal closed-shell interaction in XeMX (M = Au, Ag, Cu; X = F, Cl, Br) systems.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 5/6, p. 443, doi. 10.1007/s00214-009-0555-7
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- Publication type:
- Article