A theoretical study of the dihydrogen molecule confined inside carbon nanotubes.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2397, doi. 10.1002/qua.24474
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2013 AND VI 113 AND IP 21
Results: 12
1
2
Theoretical study on keto-enol tautomerism and isomerization in pyruvic acid.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2372, doi. 10.1002/qua.24467
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- Publication type:
- Article
3
Inside Cover, Volume 113, Issue 21.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. iii, doi. 10.1002/qua.24550
- Publication type:
- Article
4
Clarification of the role of protein in carbonmonoxy myoglobin by investigating electronic states.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2345, doi. 10.1002/qua.24459
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- Publication type:
- Article
5
Intermolecular interactions in uracil-nitrous acid complexes: structures, binding energy, topological properties, and nuclear magnetic resonance study.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2361, doi. 10.1002/qua.24461
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- Publication type:
- Article
6
A dual-level direct dynamics study on the hydrogen abstraction reaction of oxygen atom with methylhydrazine.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2338, doi. 10.1002/qua.24458
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- Publication type:
- Article
7
Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double-hybrid density functional computations.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2355, doi. 10.1002/qua.24460
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- Publication type:
- Article
8
Cover Image, Volume 113, Issue 21.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. i, doi. 10.1002/qua.24549
- Publication type:
- Article
9
Potential energy and dipole moment of the Na<sub>2</sub><sup>+</sup> ionic molecule.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2405, doi. 10.1002/qua.24475
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- Publication type:
- Article
10
Molecular dynamics simulations of the Hras-GTP complex and the Hras-GDP complex.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2333, doi. 10.1002/qua.24457
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- Publication type:
- Article
11
Influence of collision energy and reagent vibrational excitation on the dynamics of the reaction H + LiH.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2379, doi. 10.1002/qua.24468
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- Publication type:
- Article
12
Insight into the structural requirements of benzimidazole derivatives as interleukin-2 inducible t-cell kinase inhibitors by computational explorations.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 21, p. 2385, doi. 10.1002/qua.24470
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- Publication type:
- Article