Xu HL - Search Results

1

The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube.

Xu HL, Wang FF, Li ZR, Wang BQ, Wu D, Chen W, Yu GT, Gu FL, Aoki Y. Xu HL, et al. J Comput Chem. 2009 May;30(7):1128-34. doi: 10.1002/jcc.21140. J Comput Chem. 2009. PMID: 18942737

2

Structures and large NLO responses of new electrides: Li-doped fluorocarbon chain.

Xu HL, Li ZR, Wu D, Wang BQ, Li Y, Gu FL, Aoki Y. Xu HL, et al. J Am Chem Soc. 2007 Mar 14;129(10):2967-70. doi: 10.1021/ja068038k. Epub 2007 Feb 17. J Am Chem Soc. 2007. PMID: 17305338

3

Lithium salt electride with an excess electron pair--a class of nonlinear optical molecules for extraordinary first hyperpolarizability.

Ma F, Li ZR, Xu HL, Li ZJ, Li ZS, Aoki Y, Gu FL. Ma F, et al. Among authors: xu hl. J Phys Chem A. 2008 Nov 13;112(45):11462-7. doi: 10.1021/jp8040023. Epub 2008 Oct 17. J Phys Chem A. 2008. PMID: 18925732

4

Large static first and second hyperpolarizabilities dominated by excess electron transition for radical ion pair salts M2*+TCNQ*- (M=Li, Na, K).

Li ZJ, Wang FF, Li ZR, Xu HL, Huang XR, Wu D, Chen W, Yu GT, Gu FL, Aoki Y. Li ZJ, et al. Among authors: xu hl. Phys Chem Chem Phys. 2009 Jan 14;11(2):402-8. doi: 10.1039/b809161g. Epub 2008 Nov 4. Phys Chem Chem Phys. 2009. PMID: 19088997

5

Proton transfer in the complex H3N...HCl catalyzed by encapsulation into a C60 cage.

Ma F, Li ZR, Xu HL, Li ZJ, Wu D, Li ZS, Gu FL. Ma F, et al. Among authors: xu hl. Chemphyschem. 2009 May 11;10(7):1112-6. doi: 10.1002/cphc.200800721. Chemphyschem. 2009. PMID: 19347919

6

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

7

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

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

9

An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes.

Wang JN, Jin JL, Geng Y, Sun SL, Xu HL, Lu YH, Su ZM. Wang JN, et al. Among authors: xu hl. J Comput Chem. 2013 Mar 15;34(7):566-75. doi: 10.1002/jcc.23168. Epub 2012 Nov 1. J Comput Chem. 2013. PMID: 23115129

10

After the electronic field: structure, bonding, and the first hyperpolarizability of HArF.

Wu HQ, Zhong RL, Kan YH, Sun SL, Zhang M, Xu HL, Su ZM. Wu HQ, et al. Among authors: xu hl. J Comput Chem. 2013 Apr 30;34(11):952-7. doi: 10.1002/jcc.23220. Epub 2013 Jan 3. J Comput Chem. 2013. PMID: 23288812

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