The bond bundle in open systems.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1500, doi. 10.1002/qua.22270
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2010 AND VI 110 AND IP 8
Results: 13
1
2
Nature of the near-IR band in the electronic absorption spectra of neutral bis(tetrapyrrole) rare earth(III) complexes: Time-dependent density functional theory calculations.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1559, doi. 10.1002/qua.22243
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- Publication type:
- Article
3
Information theory of D-dimensional hydrogenic systems: Application to circular and Rydberg states.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1529, doi. 10.1002/qua.22244
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- Publication type:
- Article
4
Interaction of angelicin with DNA-bases (III) DFT and ab initio second-order Moeller–Plesset study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1445, doi. 10.1002/qua.22250
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- Publication type:
- Article
5
The substitution effect on heavy versions of cyclobutadiene.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1514, doi. 10.1002/qua.22271
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- Publication type:
- Article
6
Some solved problems of the periodic system of chemical elements.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1455, doi. 10.1002/qua.22277
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- Publication type:
- Article
7
Adjusting magnetic moments of Sc<sub>13</sub> and Y<sub>13</sub> clusters by doping different X atom (X = Na, Mg, Al, Si, P).
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1573, doi. 10.1002/qua.22278
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- Publication type:
- Article
8
Theoretical studies on heats of formation, detonation properties, and bond dissociation energies of monofurazan derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1549, doi. 10.1002/qua.22283
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- Publication type:
- Article
9
The gas phase hydrogen-bonded dimers of HOCl: A high-level quantum chemical study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1489, doi. 10.1002/qua.22284
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- Publication type:
- Article
10
Broken symmetry approach and chemical susceptibility of carbon nanotubes.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1466, doi. 10.1002/qua.22286
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- Publication type:
- Article
11
A simple model of hydrogen bonding with particular application to trends in hydrogen-bonded dimers.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1506, doi. 10.1002/qua.22288
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- Publication type:
- Article
12
Natural bond orbital analysis of some S-nitrosothiols biological molecules.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1565, doi. 10.1002/qua.22295
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- Publication type:
- Article
13
Spectroscopic investigations on the HCl(X<sup>2</sup>Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 8, p. 1481, doi. 10.1002/qua.22300
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- Publication type:
- Article