QSAR study of estrogens with the help of PM3-based descriptors.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 87, doi. 10.1002/qua.20569
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- Article
Works matching IS 00207608 AND DT 2005 AND VI 104 AND IP 1
Results: 8
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Low-lying stepwise paths for ethylene 1,3-dipolar cycloadditions: A DFT study<FNR></FNR><FN>This article was presented at the 11th International Congress of Quantum Chemistry held during July 20–26, 2003, Bonn, Germany. </FN>.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 64, doi. 10.1002/qua.20594
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- Article
3
Ab initio study of guanine tautomers in the S<sub>0</sub> and D<sub>0</sub> states.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 1, doi. 10.1002/qua.20595
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- Article
4
Variational CI techniques for computing dispersion constants.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 38, doi. 10.1002/qua.20567
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- Publication type:
- Article
5
Distributed Gaussian discrete variable representation.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 16, doi. 10.1002/qua.20576
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- Publication type:
- Article
6
Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 52, doi. 10.1002/qua.20579
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- Publication type:
- Article
7
Local HSAB principle in the conjugate addition of p-substituted thiophenols to cyclohexenone.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 29, doi. 10.1002/qua.20577
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- Publication type:
- Article
8
Substituent effect of large conjugate groups on the DNA base pair derivatives: Density functional study.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 104, n. 1, p. 79, doi. 10.1002/qua.20602
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- Publication type:
- Article