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1

Structure and energetics of alkanethiol adsorption on the Au(111) surface

Yourdshahyan, Yashar, Rappe, Andrew M.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 951 KB

english, 2002

2

CO on Pt(111) puzzle: A possible solution

Grinberg, Ilya, Yourdshahyan, Yashar, Rappe, Andrew M.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 300 KB

english, 2002

3

ChemInform Abstract: Theoretical Structure Determination of a Complex Material: ϰ-Al2O3.

Yashar Yourdshahyan, Carlo Ruberto, Mats Halvarsson, Lennart Bengtsson, Vratislav Langer, Bengt I. Lundqvist

Journal:

Year:

1999

Language:

english

File:

PDF, 32 KB

english, 1999

4

Adiabatic potential-energy surface of O2/Al(111): rare entrance-channel barriers but molecularly chemisorbed state apt for abstraction

Y. Yourdshahyan, B. Razaznejad, B.I. Lundqvist

Journal:

Solid State Communications

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

5

Initial sticking of O2 modeled by nonadiabatic charge transfer

A. Hellman, B. Razaznejad, Y. Yourdshahyan, H. Ternow, I. Zorić, B.I. Lundqvist

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 116 KB

english, 2003

6

Theoretical Structure Determination of a Complex Material: κ-Al2O3

Yashar Yourdshahyan, Carlo Ruberto, Mats Halvarsson, Lennart Bengtsson, Vratislav Langer, Bengt I. Lundqvist, Sakari Ruppi, Ulf Rolander

Journal:

Journal of the American Ceramic Society

Year:

1999

Language:

english

File:

PDF, 751 KB

english, 1999

7

Surface properties of metastable alumina: A comparative study of κ- and α-Al2O3

Ruberto, C., Yourdshahyan, Y., Lundqvist, B.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 1.83 MB

english, 2003

8

- and

Holm, B., Ahuja, R., Yourdshahyan, Y., Johansson, B., Lundqvist, B. I.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 240 KB

english, 1999

9

-alkyl thiol head-group interactions with the Au(111) surface

Yourdshahyan, Y., Zhang, H. K., Rappe, A. M.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 198 KB

english, 2001

10

[IEEE 2003 User Group Conference. - Bellevue, Washington, USA (June 9-13, 2003)] 2003 User Group Conference. Proceedings - Relating fundamental chemistry and smart materials with DFT calculations

Yourdshahyan, Y., Grinberg, I., Na Sai,, Cooper, V.R., Mason, S.E., Rappe, A.M., Kauffman, R.P.

Year:

2003

Language:

english

File:

PDF, 8.33 MB

english, 2003

11

Stability of a Flexible Polar Ionic Crystal Surface: Metastable Alumina and One-Dimensional Surface Metallicity

Ruberto, C., Yourdshahyan, Y., Lundqvist, B. I.

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

12

Supported metal electronic structure: Implications for molecular adsorption

Cooper, Valentino R., Kolpak, Alexie M., Yourdshahyan, Yashar, Rappe, Andrew M.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 200 KB

english, 2005

13

Theoretical investigation of the structure of κ-

Yourdshahyan, Y., Engberg, U., Bengtsson, L., Lundqvist, B. I., Hammer, B.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 148 KB

english, 1997

14

Adiabatic potential-energy surfaces for oxygen on Al(111)

Yourdshahyan, Y., Razaznejad, B., Lundqvist, B. I.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 1.34 MB

english, 2002

15

First-principles calculations on the atomic and electronic structure of

Yourdshahyan, Y., Ruberto, C., Bengtsson, L., Lundqvist, B. I.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

16

Structure Determination of κ-Al2O3

Langer, V., Smrčok, L., Halvarsson, Mats, Yourdshahyan, Y., Ruberto, C., Ruppi, S.

Journal:

Materials Science Forum

Year:

2001

File:

PDF, 444 KB

2001

17

SPIE Proceedings [SPIE Optical Science and Technology, SPIE's 48th Annual Meeting - San Diego, CA (Sunday 3 August 2003)] Physical Chemistry of Interfaces and Nanomaterials II - Catalytic behavior at the nanoscale: CO adsorption on Al2O3-supported Pt clusters

Yourdshahyan, Yashar, Cooper, Valentino R., Kolpak, Alexie M., Rappe, Andrew M., Lian, Tianquan, Dai, Hai-Lung

Year:

2003

Language:

english

File:

PDF, 496 KB

english, 2003

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