Gu FL - Search Results

1

Structures and considerable static first hyperpolarizabilities: new organic alkalides (M+@n6adz)M'- (M, M'=Li, Na, K; n=2, 3) with cation inside and anion outside of the cage complexants.

Wang FF, Li ZR, Wu D, Wang BQ, Li Y, Li ZJ, Chen W, Yu GT, Gu FL, Aoki Y. Wang FF, et al. Among authors: gu fl. J Phys Chem B. 2008 Jan 31;112(4):1090-4. doi: 10.1021/jp076790h. Epub 2008 Jan 4. J Phys Chem B. 2008. PMID: 18173257

2

The static polarizability and first hyperpolarizability of the water trimer anion: ab initio study.

Chen W, Li ZR, Wu D, Gu FL, Hao XY, Wang BQ, Li RJ, Sun CC. Chen W, et al. Among authors: gu fl. J Chem Phys. 2004 Dec 1;121(21):10489-94. doi: 10.1063/1.1811609. J Chem Phys. 2004. PMID: 15549930

3

The structure and the large nonlinear optical properties of Li@calix[4]pyrrole.

Chen W, Li ZR, Wu D, Li Y, Sun CC, Gu FL. Chen W, et al. Among authors: gu fl. J Am Chem Soc. 2005 Aug 10;127(31):10977-81. doi: 10.1021/ja050601w. J Am Chem Soc. 2005. PMID: 16076204

4

Nonlinear optical properties of alkalides Li+(calix[4]pyrrole)M- (M = Li, Na, and K): alkali anion atomic number dependence.

Chen W, Li ZR, Wu D, Li Y, Sun CC, Gu FL, Aoki Y. Chen W, et al. Among authors: gu fl. J Am Chem Soc. 2006 Feb 1;128(4):1072-3. doi: 10.1021/ja056314+. J Am Chem Soc. 2006. PMID: 16433512

5

Royal crown-shaped electride Li3-N3-Be containing two superatoms: new knowledge on aromaticity.

Li ZR, Wang FF, Wu D, Li Y, Chen W, Sun XY, Gu FL, Aoki Y. Li ZR, et al. Among authors: gu fl. J Comput Chem. 2006 Jun;27(8):986-93. doi: 10.1002/jcc.20408. J Comput Chem. 2006. PMID: 16604513

6

Binary clusters AuPt and Au6Pt: structure and reactivity within density functional theory.

Tian WQ, Ge M, Gu F, Yamada T, Aoki Y. Tian WQ, et al. J Phys Chem A. 2006 May 18;110(19):6285-93. doi: 10.1021/jp055506o. J Phys Chem A. 2006. PMID: 16686464

7

What is the role of the complexant in the large first hyperpolarizability of sodide systems Li(NH3)(n)Na (n = 1-4)?

Jing YQ, Li ZR, Wu D, Li Y, Wang BQ, Gu FL. Jing YQ, et al. Among authors: gu fl. J Phys Chem B. 2006 Jun 22;110(24):11725-9. doi: 10.1021/jp060584c. J Phys Chem B. 2006. PMID: 16800469

8

Bimetallic clusters Pt6Au: geometric and electronic structures within density functional theory.

Tian WQ, Ge M, Gu F, Aoki Y. Tian WQ, et al. J Phys Chem A. 2005 Nov 3;109(43):9860-6. doi: 10.1021/jp053961e. J Phys Chem A. 2005. PMID: 16833301

9

Effect of the complexant shape on the large first hyperpolarizability of alkalides Li+(NH3)4M-.

Jing YQ, Li ZR, Wu D, Li Y, Wang BQ, Gu FL, Aoki Y. Jing YQ, et al. Among authors: gu fl. Chemphyschem. 2006 Aug 11;7(8):1759-63. doi: 10.1002/cphc.200600157. Chemphyschem. 2006. PMID: 16865760

10

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems.

Makowski M, Korchowiec J, Gu FL, Aoki Y. Makowski M, et al. Among authors: gu fl. J Comput Chem. 2006 Oct;27(13):1603-19. doi: 10.1002/jcc.20466. J Comput Chem. 2006. PMID: 16868994

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