Aromaticity-induced changes in electronic properties of size-expanded DNA bases: Case of xC.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2339, doi. 10.1002/qua.20966
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- Article
Works matching IS 00207608 AND DT 2006 AND VI 106 AND IP 11
Results: 13
1
2
Ab initio insight on the interaction of ascorbate with Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Be<sup>2+</sup>, Mg<sup>2+</sup>, and Ca<sup>2+</sup> metal cations.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2366, doi. 10.1002/qua.20973
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- Article
3
Computational determination of the relative polarizabilities of molecular components.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2347, doi. 10.1002/qua.20974
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- Article
4
Conformational studies on parathion.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2356, doi. 10.1002/qua.20977
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- Article
5
Computational and spectroscopic studies concerning the solvatochromic behavior of 1,3-disubstituted azulenes.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2331, doi. 10.1002/qua.20989
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- Article
6
Inclusion of the (T) triples correction into the linear-r<sub>12</sub> corrected coupled-cluster model CCSD(R12).
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2306, doi. 10.1002/qua.20991
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- Article
7
Endohedral carbon chains in chiral single-wall carbon nanotubes.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2324, doi. 10.1002/qua.21005
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- Article
8
Multi-determinant trial functions in the determination of the dissociation energy of the beryllium dimer: Quantum Monte Carlo study.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2373, doi. 10.1002/qua.21014
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- Article
9
Singlet–triplet gaps and insertion reactions of aminocyanocarbenes: A computational study of hydrogen cyanide covalent dimers.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2379, doi. 10.1002/qua.21024
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- Article
10
Extrapolation methods for improving convergence of spherical Bessel integrals for the two-center Coulomb integrals.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2318, doi. 10.1002/qua.21026
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- Article
11
[2,3]-sigmatropic rearrangements of hydrogen and alkyl 3-propenyl sulfoxides: A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2390, doi. 10.1002/qua.21067
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- Article
12
Gauss–Bessel quadrature: A tool for the evaluation of Barnett–Coulson/Löwdin functions.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2398, doi. 10.1002/qua.21079
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- Article
13
Preface.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 11, p. 2305, doi. 10.1002/qua.21083
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- Publication type:
- Article