Stochastic model for photoinduced anisotropy.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1015, doi. 10.1002/jcc.22931
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 10
Results: 8
1
2
Density functional theory calculation of cyclic carboxylic phosphorus mixed anhydrides as possible intermediates in biochemical reactions: Implications for the Pro-Tide approach.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1029, doi. 10.1002/jcc.22934
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- Publication type:
- Article
3
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1068, doi. 10.1002/jcc.22938
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- Publication type:
- Article
4
Vibrational averaging of the chemical shift in crystalline α-glycine.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1080, doi. 10.1002/jcc.22940
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- Publication type:
- Article
5
An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1055, doi. 10.1002/jcc.22937
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- Publication type:
- Article
6
Theoretical investigation on the photophysical properties of N-heterocyclic carbene iridium (III) complexes (fpmb)<sub>x</sub>Ir(bptz)<sub>3- x</sub> ( x = 1−2).
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1038, doi. 10.1002/jcc.22935
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- Publication type:
- Article
7
(σ<sup>3</sup>,λ<sup>5</sup>)-phosphoranes versus (σ<sup>3</sup><sub>,</sub>λ<sup>3</sup>)-thiaphosphiranes: Quantum chemical investigation of products of phosphaalkene sulfurization.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1023, doi. 10.1002/jcc.22932
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- Publication type:
- Article
8
A [Fe(CB<sub>6</sub>)] platform for binding of small molecules: Insights from DFT calculations.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 10, p. 1047, doi. 10.1002/jcc.22936
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- Publication type:
- Article