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Showing 49 to 60 of 1221 entries
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Photodissociation of acetic acid in the gas phase: an ab initio study.

The Journal of organic chemistry

Fang WH, Liu RZ, Zheng X, Phillips DL.
PMID: 12444618
J Org Chem. 2002 Nov 29;67(24):8407-15. doi: 10.1021/jo020356o.

Photodissociation of acetic acid in the gas phase was investigated using ab initio molecular orbital methods. The stationary structures on the ground-state potential energy surfaces were mainly optimized at the MP2 level of theory, while those on the excited-state...

Vectors for multi-color bimolecular fluorescence complementation to investigate protein-protein interactions in living plant cells.

Plant methods

Lee LY, Fang MJ, Kuang LY, Gelvin SB.
PMID: 18922163
Plant Methods. 2008 Oct 15;4:24. doi: 10.1186/1746-4811-4-24.

BACKGROUND: The investigation of protein-protein interactions is important for characterizing protein function. Bimolecular fluorescence complementation (BiFC) has recently gained interest as a relatively easy and inexpensive method to visualize protein-protein interactions in living cells. BiFC uses "split YFP" tags...

Probing photophysical and photochemical processes of benzoic acid from ab initio calculations.

The journal of physical chemistry. A

Li J, Zhang F, Fang WH.
PMID: 16834147
J Phys Chem A. 2005 Sep 01;109(34):7718-24. doi: 10.1021/jp052837s.

The CASSCF and DFT methods have been used to determine geometric and electronic structures of the benzoic acid monomer in the S(0), S(1), S(2), T(1), and T(2) electronic states. The S(1)/T(2)/T(1) three-surface intersection was found by the state-averaged CASSCF...

Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane.

Chemphyschem : a European journal of chemical physics and physical chemistry

Liu YJ, De Vico L, Lindh R, Fang WH.
PMID: 17352002
Chemphyschem. 2007 Apr 23;8(6):890-8. doi: 10.1002/cphc.200600737.

The UV photodissociation (

Palladium-catalyzed cross-coupling of stereospecific potassium cyclopropyl trifluoroborates with aryl bromides.

Organic letters

Fang GH, Yan ZJ, Deng MZ.
PMID: 14748592
Org Lett. 2004 Feb 05;6(3):357-60. doi: 10.1021/ol036184e.

[reaction: see text] Stereospecific cyclopropanation of alkenylboronic esters of pinacol followed by in situ treatment with excess KHF(2) afforded the corresponding potassium cyclopropyl trifluoroborates in high yields, which then underwent Suzuki-Miyaura cross-coupling reactions with aryl bromides to give cyclopropyl-substituted...

Hyperproduction of L-glutamate oxidase in submerged fermentation of Streptomyces sp. N1 with culture pH control and calcium addition.

Applied biochemistry and biotechnology

Li QS, Fang QH, Zhu JY, Zhong JJ.
PMID: 15304784
Appl Biochem Biotechnol. 1999 May;80(2):97-106. doi: 10.1385/abab:80:2:97.

Production of L-glutamate oxidase (GluOx) by Streptomyces sp. N1 was investigated by controlling culture pH at 6.2, 6.7, 7.0, and 7.3 in a 5-L stirred fermentor. The corresponding GluOx activities obtained were 2.8, 4.2, 6.0, and 5.3 U/mL, respectively....

Insights into photodissociation dynamics of propionyl chloride from ab initio calculations and molecular dynamics simulations.

The journal of physical chemistry. A

Chen SL, Fang WH.
PMID: 16419994
J Phys Chem A. 2006 Jan 26;110(3):944-50. doi: 10.1021/jp0547257.

The potential energy surfaces of isomerization, dissociation, and elimination reactions for CH3CH2COCl in the S0 and S1 states have been mapped with the different ab initio calculations. Mechanistic photodissociation of CH3CH2COCl at 266 nm has been characterized through the...

[Study on calibration method of spatial heterodyne spectrometer].

Guang pu xue yu guang pu fen xi = Guang pu

Shi HL, Xiong W, Zuo MM, Luo HY, Wu J, Fang YH, Qiao YL.
PMID: 20707176
Guang Pu Xue Yu Guang Pu Fen Xi. 2010 Jun;30(6):1683-7.

Spatial heterodyne spectroscopy (SHS) is a novel method for hyperspectral analysis, but the calibration methods have not been thoroughly studied. The present paper gives some basic theories of SHS, and investigates the laboratory calibration methods, including spectral calibration and...

[Studies of the norm and psychometric properties of Ages and Stages Questionnaires in Shanghai children].

Zhonghua er ke za zhi = Chinese journal of pediatrics

Bian XY, Yao GY, Squires J, Wei M, Chen CI, Fang BH.
PMID: 21055084
Zhonghua Er Ke Za Zhi. 2010 Jul;48(7):492-6.

OBJECTIVE: To introduce the Ages and Stages Questionnaire (ASQ) to China, we created ASQ-Chinese (ASQ-C) and carried out studies of its norm and the psychometrical properties in Shanghai children aged 3-66 months in collaboration with the author of the...

Mechanism and Tafel lines of electro-oxidation of water to oxygen on RuO2(110).

Journal of the American Chemical Society

Fang YH, Liu ZP.
PMID: 21133410
J Am Chem Soc. 2010 Dec 29;132(51):18214-22. doi: 10.1021/ja1069272. Epub 2010 Dec 06.

How to efficiently oxidize H(2)O to O(2) (H(2)O → 1/2O(2) + 2H(+) + 2e(-)) is a great challenge for electrochemical/photo water splitting owing to the high overpotential and catalyst corrosion. Here extensive periodic first-principles calculations integrated with modified-Poisson-Boltzmann electrostatics...

Rare gas atomic number dependence of the hyperpolarizability for rare gas inserted fluorohydrides, HRgF (Rg = He, Ar, and Kr).

The Journal of chemical physics

Liu ZB, Li ZR, Zuo MH, Li QZ, Ma F, Li ZJ, Chen GH, Sun CC.
PMID: 19655868
J Chem Phys. 2009 Jul 28;131(4):044308. doi: 10.1063/1.3192102.

The three structures of rare gas inserted fluorohydrides HRgF (Rg = He, Ar, and Kr) with all real frequencies are obtained at the QCISD(T)/aug-cc-pVTZ level. The static first hyperpolarizabilities (beta(0)) at the QCISD/aug-cc-pVQZ level are 8 a.u. (HF), 384...

Buckling instabilities in GaN nanotubes under uniaxial compression.

Nanotechnology

Hung SC, Su YK, Fang TH, Chang SJ, Ji LW.
PMID: 20817996
Nanotechnology. 2005 Oct;16(10):2203-8. doi: 10.1088/0957-4484/16/10/038. Epub 2005 Aug 16.

We report experimental observations of shell buckling instabilities in free-standing, vertically aligned GaN nanotubes subjected to uniaxial compression. Highly uniform arrays of the GaN nanotubes standing on a GaN template were fabricated and subjected to uniaxial compression using a...

Showing 49 to 60 of 1221 entries