Kornherr A - Search Results

1

A computational investigation of the different intermediates during organoalkoxysilane hydrolysis.

French SA, Sokol AA, Catlow CR, Kornherr A, Nauer GE, Zifferer G. French SA, et al. Among authors: kornherr a. J Phys Chem B. 2006 Dec 7;110(48):24311-7. doi: 10.1021/jp063503l. J Phys Chem B. 2006. PMID: 17134181

2

The initial stages of aminosilanol polymerisation.

French SA, Sokol AA, Catlow CR, Kornherr A, Zifferer G. French SA, et al. Among authors: kornherr a. Chem Commun (Camb). 2004 Jan 7;(1):20-1. doi: 10.1039/b313146g. Epub 2003 Dec 1. Chem Commun (Camb). 2004. PMID: 14737312

3

Molecular dynamics simulations of beta-cyclodextrin-aziadamantane complexes in water.

Sellner B, Zifferer G, Kornherr A, Krois D, Brinker UH. Sellner B, et al. Among authors: kornherr a. J Phys Chem B. 2008 Jan 24;112(3):710-4. doi: 10.1021/jp075493+. Epub 2008 Jan 1. J Phys Chem B. 2008. PMID: 18166034

4

Glass transition temperature of glucose, sucrose, and trehalose: an experimental and in silico study.

Simperler A, Kornherr A, Chopra R, Bonnet PA, Jones W, Motherwell WD, Zifferer G. Simperler A, et al. Among authors: kornherr a. J Phys Chem B. 2006 Oct 5;110(39):19678-84. doi: 10.1021/jp063134t. J Phys Chem B. 2006. PMID: 17004837

5

Adsorption of organosilanes at a Zn-terminated ZnO (0001) surface: molecular dynamics study.

Kornherr A, Nauer GE, Sokol AA, French SA, Catlow CR, Zifferer G. Kornherr A, et al. Langmuir. 2006 Sep 12;22(19):8036-42. doi: 10.1021/la0604432. Langmuir. 2006. PMID: 16952238

6

Lactonisation--a degradation pathway for active pharmaceutical compounds: an in silico study in amorphous trehalose.

Simperler A, Kornherr A, Chopra R, Jones W, Motherwell WD, Zifferer G. Simperler A, et al. Among authors: kornherr a. Phys Chem Chem Phys. 2007 Aug 14;9(30):3999-4006. doi: 10.1039/b618717j. Epub 2007 Jun 28. Phys Chem Chem Phys. 2007. PMID: 17646889

7

Atomistic molecular-dynamics simulations of the size and shape of polyethylene in hexane at infinite dilution.

Zifferer G, Kornherr A. Zifferer G, et al. Among authors: kornherr a. J Chem Phys. 2005 May 22;122(20):204906. doi: 10.1063/1.1924479. J Chem Phys. 2005. PMID: 15945776

8

The glass transition temperatures of amorphous trehalose-water mixtures and the mobility of water: an experimental and in silico study.

Simperler A, Kornherr A, Chopra R, Jones W, Motherwell WD, Zifferer G. Simperler A, et al. Among authors: kornherr a. Carbohydr Res. 2007 Aug 13;342(11):1470-9. doi: 10.1016/j.carres.2007.04.011. Epub 2007 Apr 27. Carbohydr Res. 2007. PMID: 17511976

9

Multilayer adsorption of water at a rutile TiO2)(110) surface: towards a realistic modeling by molecular dynamics.

Kornherr A, Vogtenhuber D, Ruckenbauer M, Podloucky R, Zifferer G. Kornherr A, et al. J Chem Phys. 2004 Aug 22;121(8):3722-6. doi: 10.1063/1.1772752. J Chem Phys. 2004. PMID: 15303939

10

Aqueous solvation dynamics at metal oxide surfaces.

Portuondo-Campa E, Tortschanoff A, van Mourik F, Moser JE, Kornherr A, Chergui M. Portuondo-Campa E, et al. Among authors: kornherr a. J Phys Chem B. 2006 Apr 20;110(15):7835-44. doi: 10.1021/jp056442k. J Phys Chem B. 2006. PMID: 16610880

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