Xu HL - Search Results

1

How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives.

Muhammad S, Irfan A, Shkir M, Chaudhry AR, Kalam A, AlFaify S, Al-Sehemi AG, Al-Salami AE, Yahia IS, Xu HL, Su ZM. Muhammad S, et al. Among authors: xu hl. J Comput Chem. 2015 Jan 15;36(2):118-28. doi: 10.1002/jcc.23777. Epub 2014 Nov 10. J Comput Chem. 2015. PMID: 25382405

2

Quantum mechanical design and structure of the Li@B10H14 basket with a remarkably enhanced electro-optical response.

Muhammad S, Xu H, Liao Y, Kan Y, Su Z. Muhammad S, et al. J Am Chem Soc. 2009 Aug 26;131(33):11833-40. doi: 10.1021/ja9032023. J Am Chem Soc. 2009. PMID: 19642644

3

Quantum chemical study of benzimidazole derivatives to tune the second-order nonlinear optical molecular switching by proton abstraction.

Muhammad S, Xu H, Janjua MR, Su Z, Nadeem M. Muhammad S, et al. Phys Chem Chem Phys. 2010 May 14;12(18):4791-9. doi: 10.1039/b924241d. Epub 2010 Mar 24. Phys Chem Chem Phys. 2010. PMID: 20428560

4

Capturing a synergistic effect of a conical push and an inward pull in fluoro derivatives of Li@B10H14 basket: toward a higher vertical ionization potential and nonlinear optical response.

Muhammad S, Xu H, Su Z. Muhammad S, et al. J Phys Chem A. 2011 Feb 10;115(5):923-31. doi: 10.1021/jp110401f. Epub 2011 Jan 12. J Phys Chem A. 2011. PMID: 21226521

5

Quantum chemical research on structures, linear and nonlinear optical properties of the Li@n-acenes salt (n = 1, 2, 3, and 4).

Zhang CC, Xu HL, Hu YY, Sun SL, Su ZM. Zhang CC, et al. Among authors: xu hl. J Phys Chem A. 2011 Mar 17;115(10):2035-40. doi: 10.1021/jp110412n. Epub 2011 Feb 21. J Phys Chem A. 2011. PMID: 21332238

6

Boron/nitrogen substitution of the central carbon atoms of the biphenalenyl diradical π dimer: a novel 2e-12c bond and large NLO responses.

Zhong RL, Zhang J, Muhammad S, Hu YY, Xu HL, Su ZM. Zhong RL, et al. Among authors: xu hl. Chemistry. 2011 Oct 10;17(42):11773-9. doi: 10.1002/chem.201101430. Epub 2011 Sep 5. Chemistry. 2011. PMID: 21898618

7

An effective method for accurate prediction of the first hyperpolarizability of alkalides.

Wang JN, Xu HL, Sun SL, Gao T, Li HZ, Li H, Su ZM. Wang JN, et al. Among authors: xu hl. J Comput Chem. 2012 Jan 15;33(2):231-6. doi: 10.1002/jcc.21969. Epub 2011 Nov 2. J Comput Chem. 2012. PMID: 22045548

8

Probing the linear and nonlinear optical properties of nitrogen-substituted carbon nanotube.

Sun SL, Hu YY, Xu HL, Su ZM, Hao LZ. Sun SL, et al. Among authors: xu hl. J Mol Model. 2012 Jul;18(7):3219-25. doi: 10.1007/s00894-011-1334-7. Epub 2012 Jan 14. J Mol Model. 2012. PMID: 22246287

9

Probing the chemical functionalization of single-walled carbon nanotubes with multiple carbon ad-dimer defects.

Wang DL, Xu HL, Su ZM, Muhammad S, Hou DY. Wang DL, et al. Among authors: xu hl. Chemphyschem. 2012 Apr 10;13(5):1232-9. doi: 10.1002/cphc.201100774. Epub 2012 Feb 2. Chemphyschem. 2012. PMID: 22302701

10

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: xu hl. Chemphyschem. 2012 Jun 18;13(9):2349-53. doi: 10.1002/cphc.201200213. Epub 2012 May 21. Chemphyschem. 2012. PMID: 22615209

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