Q M/ MM study of the interaction between zigzag Sn C nanotube and small toxic gas molecules.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 411, doi. 10.1002/qua.25055
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 6
Results: 10
1
2
A density functional computational investigation on electronic properties of the stable irregular boron fullerenes with 20-56 atoms.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 421, doi. 10.1002/qua.25056
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- Publication type:
- Article
3
Subspace effective potential theory for configuration interaction.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 469, doi. 10.1002/qua.25067
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- Publication type:
- Article
4
A generalization of CGR representation for analyzing and comparing protein sequences.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 476, doi. 10.1002/qua.25068
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- Publication type:
- Article
5
Synthesizing quantum probability by a single chaotic complex-valued trajectory.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 428, doi. 10.1002/qua.25059
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- Publication type:
- Article
6
Cover Image, Volume 116, Issue 6.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. i, doi. 10.1002/qua.25098
- Publication type:
- Article
7
Theoretical study on monometallic cyanide cluster fullerenes YCN@C<sub>72</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 438, doi. 10.1002/qua.25062
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- Publication type:
- Article
8
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 405, doi. 10.1002/qua.25099
- Publication type:
- Article
9
Computational characterization of isomeric C<sub>4</sub>H<sub>2</sub>O systems: Thermochemistry, vibrational frequencies, and optical spectra for butatrienone, ethynyl ketene, butadiynol, and triafulvenone.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 444, doi. 10.1002/qua.25063
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- Publication type:
- Article
10
Full-dimensional quantum molecular dynamics calculations of the rovibrationally mediated X.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 6, p. 452, doi. 10.1002/qua.25065
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- Publication type:
- Article