Delley, Y.: search on Z-Library

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1

Hardness analysis of cubic metal mononitrides from first principles

Fulcher, B. D., Cui, X. Y., Delley, B., Stampfl, C.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 444 KB

english, 2012

2

High order integration schemes on the unit sphere

Delley, Bernard

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 395 KB

english, 1996

3

An all-electron numerical method for solving the local density functional for polyatomic molecules

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.06 MB

english, 1990

4

electrons in light lanthanide and actinide metals by electron-energy-loss and x-ray photoelectron spectroscopy

Moser, H. R., Delley, B., Schneider, W. D., Baer, Y.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 1.10 MB

english, 1984

5

Bridging the Gap between Industrial and Well-Defined Supported Catalysts

Copéret, Christophe, Allouche, Florian, Chang, Ka Wing, Conley, Matthew, Delley, Murielle F., Fedorov, Alexey, Moroz, Ilia, Mougel, Victor, Pucino, Margherita, Searles, Keith, Yamamoto, Keishi, Zhizhk

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 3.25 MB

english, 2017

6

Bridging the Gap between Industrial and Well-Defined Supported Catalysts

Copéret, Christophe, Allouche, Florian, Chang, Ka Wing, Conley, Matthew, Delley, Murielle F., Fedorov, Alexey, Moroz, Ilia, Mougel, Victor, Pucino, Margherita, Searles, Keith, Yamamoto, Keishi, Zhizhk

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 3.25 MB

english, 2017

7

Environment-dependent nanomorphology of TiN: the influence of surface vacancies

Lee, Taehun, Delley, Bernard, Stampfl, Catherine, Soon, Aloysius

Journal:

Year:

2012

Language:

english

File:

PDF, 528 KB

english, 2012

8

by high-energy spectroscopies

Patthey, F., Imer, J. -M., Schneider, W. -D., Baer, Y., Delley, B., Hulliger, F.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 148 KB

english, 1987

9

Local spin density theory of free radicals: Nitroxides

Delley, B., Becker, P., Gillon, B.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 537 KB

english, 1984

10

Determination of the Na/Si(100)2×1 surface and interface geometry by polarization-dependent photoemission extended x-ray-absorption fine structure and ab initio total-energy molecular calculations

Mangat, P. S., Soukiassian, P., Schirm, K. M., Spiess, L., Tang, S. P., Freeman, A. J., Hurych, Z., Delley, B.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 622 KB

english, 1993

11

Chemisorption bonding, site preference, and chain formation at the K/Si(001) 2×1 interface

Ling, Ye, Freeman, A. J., Delley, B.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 536 KB

english, 1989

12

Household food waste quantification: comparison of two methods

Delley, Mathilde, Brunner, Thomas A.

Journal:

British Food Journal

Year:

2018

Language:

english

File:

PDF, 290 KB

english, 2018

13

Light-emitting devices in industrial CMOS technology

J. Kramer, P. Seitz, E.F. Steigmeier, H. Auderset, B. Delley, H. Baltes

Journal:

Sensors and Actuators A: Physical

Year:

1993

Language:

english

File:

PDF, 644 KB

english, 1993

14

Time dependent density functional theory with DMol 3

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 594 KB

english, 2010

15

A new mobile genetic element inLactobacillus delbrueckiisubsp.bulgaricus

Jacques-Edouard Germond, Luciane Lapierre, Michèle Delley, Beat Molle

Journal:

Molecular Genetics and Genomics

Year:

1995

Language:

english

File:

PDF, 1.59 MB

english, 1995

16

The conductor-like screening model for polymers and surfaces

Journal:

Molecular Simulation

Year:

2006

Language:

english

File:

PDF, 889 KB

english, 2006

17

Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles

Cui, X. Y., Delley, B., Stampfl, C.

Journal:

Journal of Applied Physics

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

18

’’

Imer, J.-M., Baer, Y., Patthey, F., Schneider, W.-D., Delley, B., Hulliger, F.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 89 KB

english, 1992

19

Foodwaste within Swiss households: A segmentation of the population and suggestions for preventive measures

Delley, Mathilde, Brunner, Thomas A.

Journal:

Resources, Conservation and Recycling

Year:

2017

Language:

english

File:

PDF, 723 KB

english, 2017

20

A segmentation of Swiss fluid milk consumers and suggestions for target product concepts

Delley, Mathilde, Brunner, Thomas A.

Journal:

Journal of Dairy Science

Year:

2020

File:

PDF, 309 KB

2020

21

From molecules to solids with the DMol[sup 3] approach

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 423 KB

english, 2000

22

Electron-spectroscopic manifestations of the 4f states in light rare-earth solids

Schneider, W.-D., Delley, B., Wuilloud, E., Imer, J.-M., Baer, Y.

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 627 KB

english, 1985

23

DMol3 DFT studies: from molecules and molecular environments to surfaces and solids

Journal:

Computational Materials Science

Year:

2000

Language:

english

File:

PDF, 225 KB

english, 2000

24

Half-metallic ferromagnetism in Cu-doped ZnO: Density functional calculations

Ye, Lin-Hui, Freeman, A. J., Delley, B.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 97 KB

english, 2006

25

by high-energy electron spectroscopies

Patthey, F., Schneider, W. -D., Baer, Y., Delley, B.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 437 KB

english, 1986

26

Prokaryotic ubiquitin-like protein remains intrinsically disordered when covalently attached to proteasomal target proteins

Jonas Barandun,Fred F. Damberger,Cyrille L. Delley…

Journal:

BMC Structural Biology

Year:

2018

Language:

english

File:

PDF, 3.46 MB

english, 2018

27

chalcopyrites: An ab initio study of ferromagnetic semiconductors

Picozzi, Silvia, Zhao, Yu-Jun, Freeman, Arthur J., Delley, Bernard

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 86 KB

english, 2002

28

A specific heat study

Wälti, Ch., Felder, E., Degen, C., Wigger, G., Monnier, R., Delley, B., Ott, H. R.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 64 KB

english, 2001

29

Binding energy and electronic structure of small copper particles

Delley, B., Ellis, D. E., Freeman, A. J., Baerends, E. J., Post, D.

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 543 KB

english, 1983

30

adsorption: A local-density-functional study

Ye, L., Freeman, A. J., Delley, B.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 241 KB

english, 1993

31

The effect of grid quality and weight derivatives in density functional calculations

Baker, Jon, Andzelm, Jan, Scheiner, Andrew, Delley, Bernard

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 985 KB

english, 1994

32

molecule

Delley, B., Freeman, A. J., Weinert, M., Wimmer, E.

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 101 KB

english, 1983

33

Structural, electronic, and magnetic properties of α- and β-MnAs: LDA and GGA investigations

Zhao, Yu-Jun, Geng, W. T., Freeman, A. J., Delley, B.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 50 KB

english, 2002

34

Quantum confinement in Si nanocrystals

Delley, B., Steigmeier, E.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 161 KB

english, 1993

35

The generation and use of delocalized internal coordinates in geometry optimization

Baker, Jon, Kessi, Alain, Delley, Bernard

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 705 KB

english, 1996

36

Spectroscopic evidence for an unrealized heavy-electron state in

Patthey, F., Schneider, W.-D., Baer, Y., Delley, B.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 177 KB

english, 1987

37

Series for the exponentially modified Gaussian peak shape

Delley, Roland.

Journal:

Analytical Chemistry

Year:

1985

Language:

english

File:

PDF, 131 KB

english, 1985

38

Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology

Yoo, Su-Hyun, Lee, Ji-Hwan, Delley, Bernard, Soon, Aloysius

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.83 MB

english, 2014

39

Light emission from recrystallized amorphous Si MQW structures

E.F. Steigmeier, D. Grützmacher, H. Auderset, R. Morf, B. Delley, R. Wessicken

Journal:

Thin Solid Films

Year:

1995

Language:

english

File:

PDF, 269 KB

english, 1995

40

Evolution of the electronic and geometric structure of size-selected Pt and Pd clusters on Ag(110) observed by photoemission

Roy, H.-V., Fayet, P., Patthey, F., Schneider, W.-D., Delley, B., Massobrio, C.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 534 KB

english, 1994

41

Density functional crystal vs. cluster models as applied to zeolites

A. Kessi, B. Delley

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 260 KB

english, 1998

42

Aβ-galactosidase deletion mutant ofLactobacillus bulgaricusreverts to generate an active enzyme by internal DNA sequence duplication

Beat Mollet, Michèle Delley

Journal:

Molecular Genetics and Genomics

Year:

1991

Language:

english

File:

PDF, 613 KB

english, 1991

43

Density functional methods as computational tools in materials design

Y. S. Li, M. A. Daelen, M. Wrinn, D. King-Smith, J. M. Newsam, B. Delley, E. Wimmer, T. Klitsner, M. P. Sears, G. A. Carlson, J. S. Nelson, D. C. Allan, M. P. Teter

Journal:

Scientific Modeling and Simulation SMNS

Year:

1994

Language:

english

File:

PDF, 2.05 MB

english, 1994

44

Indication for off-symmetry position of interstitial muons implanted in monocrystalline bismuth

G. Solt, E. Lippelt, B. Delley

Journal:

Hyperfine Interactions

Year:

1991

Language:

english

File:

PDF, 293 KB

english, 1991

45

High-resolution photoemission study of the low-energy excitations in 4 f -electron systems

Patthey, F., Imer, J.-M., Schneider, W.-D., Beck, H., Baer, Y., Delley, B.

Journal:

Physical Review B

Year:

1990

Language:

english

File:

PDF, 939 KB

english, 1990

46

Many-body calculation for high energy spectra of insulating RE compounds

Delley, B., Beck, H.

Journal:

Journal of Magnetism and Magnetic Materials

Year:

1985

Language:

english

File:

PDF, 163 KB

english, 1985

47

interfaces in superhard nanocomposites: First-principles investigations

Hao, Shiqiang, Delley, Bernard, Stampfl, Catherine

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 1.23 MB

english, 2006

48

[IEEE IEEE Sensors 2003 (IEEE Cat. No.03CH37498) - Toronto, Canada (Oct. 22-24, 2003)] Proceedings of IEEE Sensors 2003 (IEEE Cat. No.03CH37498) - Ozone reactivity with carbon nanotubes: experimental and theoretical studies

Picozzi, S., Lozzi, L., Santucci, S., Cantalina, C., Baratto, C., Sberveglieri, G., Armentano, L., Kenny, J.M., Valentina, L., Delley, B.

Year:

2003

Language:

english

File:

PDF, 311 KB

english, 2003

49

First-principles approach to the electronic structure in the pentacene thin film polymorph

Parisse, P, Ottaviano, L, Delley, B, Picozzi, S

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 387 KB

english, 2007

50

Light emission from a silicon quantum well

E. F. Steigmeier, R. Morf, D. GruÌtzmacher, H. Auderset, B. Delley, R. Wessicken

Year:

1996

Language:

english

File:

PDF, 839 KB

english, 1996

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