Cover Image, Volume 116, Issue 16.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. i, doi. 10.1002/qua.25194
- Publication type:
- Article
Works matching IS 00207608 AND DT 2016 AND VI 116 AND IP 16
Results: 10
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2
Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1191, doi. 10.1002/qua.25195
- Publication type:
- Article
3
Unexpected properties of non-autoionizing doubly excited states of the H<sub>2</sub> molecule.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1214, doi. 10.1002/qua.25160
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- Publication type:
- Article
4
Solution of the 'Classical' Schrödinger equation for a driven symmetric triple well: A comparison with its classical counterpart.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1224, doi. 10.1002/qua.25161
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- Publication type:
- Article
5
Comment on 'Dynamical derivation of eyring equation and the second-order kinetic law' [Int. J. Quantum Chem. 2010, 110, 2355].
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1267, doi. 10.1002/qua.25162
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- Publication type:
- Article
6
A DFT study of Lp···π/halogen bond competition in complexes of perhalogenated alkenes with oxygen/nitrogen containing simple molecules.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1244, doi. 10.1002/qua.25166
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- Publication type:
- Article
7
Investigation of substituent effects in aerogen-bonding interaction between ZO<sub>3</sub> (Z=Kr, Xe) and nitrogen bases.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1254, doi. 10.1002/qua.25168
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- Publication type:
- Article
8
Approximating the Pauli Potential in Bound Coulomb Systems.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1261, doi. 10.1002/qua.25169
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- Publication type:
- Article
9
A new implementation of ab initio ehrenfest dynamics using electronic configuration basis: Exact formulation with molecular orbital connection and effective propagation scheme with locally quasi-diabatic representation.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1205, doi. 10.1002/qua.25156
- By:
- Publication type:
- Article
10
H-bonding and stacking interactions between chloroquine and temozolomide.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 16, p. 1196, doi. 10.1002/qua.25152
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- Publication type:
- Article