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1

A systematic quantum chemical investigation of the CH bond activation in methane by gas phase vanadium oxide cation VO+

Mikhail Pykavy, Christoph Van Wüllen

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 140 KB

english, 2007

2

Single crystalline silicon dioxide films on Mo(1 1 2)

T. Schroeder, A. Hammoudeh, M. Pykavy, N. Magg, M. Adelt, M. Bäumer, H.-J. Freund

Journal:

Solid-State Electronics

Year:

2001

Language:

english

File:

PDF, 1.37 MB

english, 2001

3

Lateral velocity distributions in laser-induced desorption of CO from Cr2O3(0001): experiment and theory

S. Borowski, T. Klüner, H.-J. Freund, I. Klinkmann, K. Al-Shamery, M. Pykavy, V. Staemmler

Journal:

Applied Physics A: Materials Science & Processing

Year:

2004

Language:

english

File:

PDF, 732 KB

english, 2004

4

Adsorption of CO on Cr2O3(0 0 0 1)

M. Pykavy, V. Staemmler, O. Seiferth, H.-J. Freund

Journal:

Surface Science

Year:

2001

Language:

english

File:

PDF, 1.54 MB

english, 2001

5

Laser-Induced Desorption of CO from Cr 2 O 3 (0001): Ab Initio Calculation of the Four-Dimensional Potential Energy Surface for an Intermediate Excited State

Pykavy, Mikhail, Thiel, Stephan, Klüner, Thorsten

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 193 KB

english, 2002

6

Multireference Correlation Calculations for the Ground States of VO +/0/- Using Correlation Consistent Basis Sets

Pykavy, Mikhail, van Wüllen, Christoph

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 65 KB

english, 2003

7

Electronic ground states of the V[sub 2]O[sub 4][sup +/0/−] species from multireference correlation and density functional studies

Pykavy, Mikhail, van Wüllen, Christoph, Sauer, Joachim

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 528 KB

english, 2004

8

Rotational alignment in the photodesorption of CO from Cr[sub 2]O[sub 3](0001): A systematic three-dimensional ab initio study

Thiel, S., Pykavy, M., Klüner, T., Freund, H.-J., Kosloff, R., Staemmler, V.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 991 KB

english, 2002

9

: Stereodynamic Effects

Thiel, S., Pykavy, M., Klüner, T., Freund, H.-J., Kosloff, R., Staemmler, V.

Journal:

Physical Review Letters

Year:

2001

Language:

english

File:

PDF, 308 KB

english, 2001