Optimization strategy based on genetic algorithms and neural networks applied to a polymerization process.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 617, doi. 10.1002/qua.21376
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2008 AND VI 108 AND IP 4
Results: 19
1
2
Generalized electronic diabatic approach to structural similarity in two-dimensional potential energy surfaces of various topologies.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 651, doi. 10.1002/qua.21475
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- Publication type:
- Article
3
Erratum: Vikas, B. M. Deb: Ground-state electronic energies and densities of atomic systems in strong magnetic fields through a time-dependent hydrodynamical equation.
- Published in:
- 2008
- By:
- Publication type:
- Erratum
4
Partitioning of atomization energy.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 708, doi. 10.1002/qua.21545
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- Publication type:
- Article
5
Substituent effects on O–H and S–H bond dissociation enthalpies of disubstituted phenols and thiophenols.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 754, doi. 10.1002/qua.21522
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- Publication type:
- Article
6
Mathematical formulas describing the sequences of the periodic table.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 667, doi. 10.1002/qua.21529
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- Publication type:
- Article
7
Quantum adiabatic switching route to the impurity modulated states of 2-D quantum dots with different switching functions.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 719, doi. 10.1002/qua.21535
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- Publication type:
- Article
8
Significance of charge-dipolar moiety interaction: Computational study of cyanospherands.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 779, doi. 10.1002/qua.21539
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- Publication type:
- Article
9
Role of aromatic residues in stabilizing the secondary and tertiary structure of avian pancreatic polypeptide.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 814, doi. 10.1002/qua.21521
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- Publication type:
- Article
10
Charge transfer stabilization of an excess electron on a molecular surface.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 808, doi. 10.1002/qua.21542
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- Publication type:
- Article
11
Tayloring standard TDDFT approaches for computing UV/Vis transitions in thiocarbonyl chromophores.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 762, doi. 10.1002/qua.21544
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- Publication type:
- Article
12
Matrix-covariant representation of high-order configuration interaction and coupled cluster theories.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 671, doi. 10.1002/qua.21551
- By:
- Publication type:
- Article
13
Spontaneous radiative decay rates in Ga-like ions.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 744, doi. 10.1002/qua.21552
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- Publication type:
- Article
14
Ab initio interpretation of Hund's rule for the methylene molecule: Variational optimization of its molecular geometries and energy component analysis.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 731, doi. 10.1002/qua.21541
- By:
- Publication type:
- Article
15
Mercury telluride crystals encapsulated within single walled carbon nanotubes: A density functional study.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 797, doi. 10.1002/qua.21546
- By:
- Publication type:
- Article
16
Theory of chemical bonds in metalloenzymes. VII. Hybrid-density functional theory studies on the electronic structures of P450.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 631, doi. 10.1002/qua.21547
- By:
- Publication type:
- Article
17
Novel silicon nanorings: Persilacyclacenes at DFT.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 696, doi. 10.1002/qua.21550
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- Publication type:
- Article
18
Involvement of excited triplet state in the photodissociation of cyclobutane.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 788, doi. 10.1002/qua.21548
- By:
- Publication type:
- Article
19
A relationship between atomic correlation energy and Tsallis entropy.
- Published in:
- International Journal of Quantum Chemistry, 2008, v. 108, n. 4, p. 774, doi. 10.1002/qua.21549
- By:
- Publication type:
- Article