Found: 13
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X<sub>α</sub>-DVM investigation of double water molecule interactions with active sites of α- and β-subunits of hemoglobin.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2648, doi. 10.1002/qua.21624
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- Article
A theoretical study of methanol vinylation reaction mechanism.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2630, doi. 10.1002/qua.21639
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- Article
Computations on three isomers of La@C<sub>74</sub>.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2636, doi. 10.1002/qua.21648
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- Article
Spin structure of the first order reduced density matrix and spin-polarized states.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2657, doi. 10.1002/qua.21694
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- Article
Hybrid Ab initio/EFP approach for calculating d-d absorption spectrum of hexaammineruthenium(II) ion in aqueous solutions.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2711, doi. 10.1002/qua.21729
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- Article
Lithium mobility in complexes Li[C<sub>n</sub>]<sub>1</sub> (n = 5-21): PES analysis in different stationary points.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2693, doi. 10.1002/qua.21730
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- Article
Study of spectral properties of bis(1,10-phenanthroline) silicon hexacoordinated complexes by density functional theory.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2641, doi. 10.1002/qua.21734
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- Article
Shifts of the hydrogen atom in a cylindrical cavity.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2666, doi. 10.1002/qua.21787
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- Article
Structure and dynamics of acrolein in lowest excited <sup>1,3</sup>(n,π*) electronic states: The quantum-chemical study.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2719, doi. 10.1002/qua.21803
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- Article
MP2 study on decomposition of nitrous oxide on the Ga-ZSM-5.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2732, doi. 10.1002/qua.21817
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- Article
Research of electronic absorption spectra of benzazols derivatives by ab initio calculations.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2700, doi. 10.1002/qua.21819
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- Article
The quantum-chemical study of small clusters of organic chromophores: Topological analysis and nonlinear optical properties.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2678, doi. 10.1002/qua.21820
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- Article
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 14, p. 2629, doi. 10.1002/qua.21881
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- Article