Qiu YQ - Search Results

1

Theoretical investigations on electronic spectra and the redox-switchable second-order nonlinear optical responses of rhodium(I)-9,10-phenanthrenediimine complexes.

Li XJ, Sun SL, Ma NN, Sun XX, Yang GC, Qiu YQ. Li XJ, et al. Among authors: qiu yq. J Mol Graph Model. 2012 Mar;33:19-25. doi: 10.1016/j.jmgm.2011.11.002. Epub 2011 Nov 20. J Mol Graph Model. 2012. PMID: 22138015

2

Theoretical study on the relationship between spin multiplicity effects and nonlinear optical properties of the pyrrole radical (C4H4N.).

Qiu YQ, Fan HL, Sun SL, Liu CG, Su ZM. Qiu YQ, et al. J Phys Chem A. 2008 Jan 10;112(1):83-8. doi: 10.1021/jp073907t. Epub 2007 Dec 11. J Phys Chem A. 2008. PMID: 18069802

3

Electronic structures and nonlinear optical properties of highly deformed halofullerenes C(3v) C60F18 and D(3d) C60Cl30.

Tang SW, Feng JD, Qiu YQ, Sun H, Wang FD, Chang YF, Wang RS. Tang SW, et al. Among authors: qiu yq. J Comput Chem. 2010 Nov 15;31(14):2650-7. doi: 10.1002/jcc.21560. J Comput Chem. 2010. PMID: 20740565

4

Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compounds.

Tang SW, Feng JD, Qiu YQ, Sun H, Wang FD, Su ZM, Chang YF, Wang RS. Tang SW, et al. Among authors: qiu yq. J Comput Chem. 2011 Mar;32(4):658-67. doi: 10.1002/jcc.21650. Epub 2010 Sep 15. J Comput Chem. 2011. PMID: 20845421

5

Quantum chemical study of redox-switchable second-order nonlinear optical responses of D-π-A system BNbpy and metal Pt(II) chelate complex.

Ma NN, Sun SL, Liu CG, Sun XX, Qiu YQ. Ma NN, et al. Among authors: qiu yq. J Phys Chem A. 2011 Nov 24;115(46):13564-72. doi: 10.1021/jp206003n. Epub 2011 Oct 24. J Phys Chem A. 2011. PMID: 21966928

6

Theoretical investigation on redox-switchable second-order nonlinear optical responses of push-pull Cp*CoEt2C2B4H3-expanded (metallo)porphyrins.

Ma N, Liu C, Qiu Y, Sun S, Su Z. Ma N, et al. J Comput Chem. 2012 Jan 15;33(2):211-9. doi: 10.1002/jcc.21966. Epub 2011 Nov 1. J Comput Chem. 2012. PMID: 22042719

7

Theoretical investigation on electronic structure and second-order nonlinear optical properties of novel hexamolybdate-organoimido-(car)borane hybrid.

Ma N, Yan L, Guan W, Qiu Y, Su Z. Ma N, et al. Phys Chem Chem Phys. 2012 Apr 28;14(16):5605-12. doi: 10.1039/c2cp00054g. Epub 2012 Mar 19. Phys Chem Chem Phys. 2012. PMID: 22430546

8

Spiral intramolecular charge transfer and large first hyperpolarizability in Möbius cyclacenes: new insight into the localized π electrons.

Zhong RL, Xu HL, Su ZM, Li ZR, Sun SL, Qiu YQ. Zhong RL, et al. Among authors: qiu yq. Chemphyschem. 2012 Jun 18;13(9):2349-53. doi: 10.1002/cphc.201200213. Epub 2012 May 21. Chemphyschem. 2012. PMID: 22615209

9

The excess electron in a boron nitride nanotube: pyramidal NBO charge distribution and remarkable first hyperpolarizability.

Zhong RL, Xu HL, Sun SL, Qiu YQ, Su ZM. Zhong RL, et al. Among authors: qiu yq. Chemistry. 2012 Sep 3;18(36):11350-5. doi: 10.1002/chem.201201570. Epub 2012 Jul 24. Chemistry. 2012. PMID: 22829460

10

Modulation of the second-order nonlinear optical properties of the two-dimensional pincer Ru(II) complexes: substituent effect and proton abstraction switch.

Wang CH, Ma NN, Sun XX, Sun SL, Qiu YQ, Liu PJ. Wang CH, et al. Among authors: qiu yq. J Phys Chem A. 2012 Nov 1;116(43):10496-506. doi: 10.1021/jp3062288. Epub 2012 Oct 19. J Phys Chem A. 2012. PMID: 23050877

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