Thermal rate coefficients calculation for the H<sup>+</sup> + LiH reaction.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2024, doi. 10.1002/qua.22549
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2010 AND VI 110 AND IP 11
Results: 12
1
2
Theoretical calculations of structures, energetics, and kinetics of O (<sup>3</sup>P) + CH<sub>3</sub>OH reactions.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2037, doi. 10.1002/qua.22576
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- Publication type:
- Article
3
Exploring the G3 method in the study of rotational barrier of some simple molecules.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2006, doi. 10.1002/qua.22585
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- Publication type:
- Article
4
Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2067, doi. 10.1002/qua.22607
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- Publication type:
- Article
5
Resonating valence-bond mechanism for the superconductivity in K<sub>3</sub>C<sub>60</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2088, doi. 10.1002/qua.22689
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- Publication type:
- Article
6
The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2015, doi. 10.1002/qua.22676
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- Publication type:
- Article
7
Solvatochromic shift of the π → π* transition in all-trans, cis-13, cis-11, cis-9, and cis-7 retinal isomers induced by water and methanol.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2076, doi. 10.1002/qua.22622
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- Publication type:
- Article
8
Experimental and theoretical studies of 2-amino-3-methylimidazo[4,5-f]quinoline derivatives: Cooked-food mutagens.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2047, doi. 10.1002/qua.22626
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- Publication type:
- Article
9
Coupled cluster and configuration interaction quantum calculations of infrared fundamental intensities.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2029, doi. 10.1002/qua.22707
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- Publication type:
- Article
10
Search for new antimalarial compounds obtained from natural sources by molecular modeling.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2057, doi. 10.1002/qua.22712
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- Publication type:
- Article
11
Solvation of anionic water-soluble porphyrins: A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2094, doi. 10.1002/qua.22700
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- Publication type:
- Article
12
Preface: Proceedings of the XV Brazilian Symposium of Theoretical Chemistry.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 11, p. 2005, doi. 10.1002/qua.22755
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- Publication type:
- Article