C<sub>28</sub> (D<sub>2</sub>): Fullerene growth mechanism.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 642, doi. 10.1002/qua.1419
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2001 AND VI 84 AND IP 6
Results: 15
1
2
Theoretical study of AlC<sub>3</sub><sup>+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 660, doi. 10.1002/qua.1421
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- Publication type:
- Article
3
Spectral properties of neutral selenium and tellurium. A relativistic treatment.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 694, doi. 10.1002/qua.1425
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- Publication type:
- Article
4
A study of the molecular structure and spectroscopic properties of polycyclic polyaza-compounds with diamond-lattice conformations.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 630, doi. 10.1002/qua.1418
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- Publication type:
- Article
5
Solvent effect on DNA base stacked dimers: An isodensity polarizable continuum model approach.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 750, doi. 10.1002/qua.1429
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- Publication type:
- Article
6
Theoretical study on dependence of hyperpolarizability of one-dimensional ring system on the delocalization transition.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 686, doi. 10.1002/qua.1424
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- Publication type:
- Article
7
Theoretical ab initio study of NO and CO depollution reaction catalyzed by copper.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 623, doi. 10.1002/qua.1417
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- Publication type:
- Article
8
Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO).
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 740, doi. 10.1002/qua.1428
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- Publication type:
- Article
9
Selective catalytic reduction of nitric oxide with ammonia: A theoretical ab initio study.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 677, doi. 10.1002/qua.1423
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- Publication type:
- Article
10
Third-order nonlinear optical properties of dendritic molecular aggregates: Effects of fractal architecture.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 649, doi. 10.1002/qua.1420
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- Publication type:
- Article
11
BSSE-free description of the formamide dimers.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 617, doi. 10.1002/qua.1416
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- Publication type:
- Article
12
Theoretical exploration of ultrafast spectroscopy of small clusters.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 714, doi. 10.1002/qua.1427
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- Publication type:
- Article
13
Noncollinear spin density functional theory for spin-frustrated and spin-degenerate systems.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 670, doi. 10.1002/qua.1422
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- Publication type:
- Article
14
Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size-dependent HOMO-LUMO energy gap.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 607, doi. 10.1002/qua.1415
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- Publication type:
- Article
15
Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 84, n. 6, p. 705, doi. 10.1002/qua.1426
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- Publication type:
- Article