Simple method for the precise calculation of atomic energy levels of IB elements in the periodic table.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 293, doi. 10.1002/qua.10134
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2002 AND VI 87 AND IP 5
Results: 9
1
2
Semiempirical simulation of a theta-class glutathione S-transferase-catalyzed glutathione attack to the allelochemical DIMBOA.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 311, doi. 10.1002/qua.10133
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- Publication type:
- Article
3
Theoretical calculation of activation energy barrier from vibrational frequencies for the reaction of O (<sup>3</sup>P) with CHFCl.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 280, doi. 10.1002/qua.10126
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- Publication type:
- Article
4
Quantum chemical study of the reaction mechanism of ozone and methane with fluorine and chlorine atoms.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 288, doi. 10.1002/qua.10119
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- Publication type:
- Article
5
Erratum: Analytical Schwartz density applied to heavy two-electron ions.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 322, doi. 10.1002/qua.10150
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- Publication type:
- Article
6
Ab initio calculation of the Young's modulus of α-polyamides.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 303, doi. 10.1002/qua.10121
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- Publication type:
- Article
7
Ab initio study of electronic spectra of merocyanine 540 and its photoproducts.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 265, doi. 10.1002/qua.10132
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- Publication type:
- Article
8
Variational Monte Carlo calculations for some cations and anions of the first-row atoms using explicitly correlated wave functions.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 270, doi. 10.1002/qua.10125
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- Publication type:
- Article
9
Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 87, n. 5, p. 275, doi. 10.1002/qua.10120
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- Publication type:
- Article