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1

Implementing and assessing the value of nursing preceptorship

Odelius, Anki, Traynor, Michael, Mehigan, Sinead, Wasike, Mercy, Caldwell, Chris

Journal:

Nursing Management

Year:

2017

Language:

english

File:

PDF, 187 KB

english, 2017

2

Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes

Josefsson, Ida, Kunnus, Kristjan, Schreck, Simon, Föhlisch, Alexander, de Groot, Frank, Wernet, Philippe, Odelius, Michael

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1019 KB

english, 2012

3

Electronic Structure of TiO 2 /CH 3 NH 3 PbI 3 Perovskite Solar Cell Interfaces

Lindblad, Rebecka, Bi, Dongqin, Park, Byung-wook, Oscarsson, Johan, Gorgoi, Mihaela, Siegbahn, Hans, Odelius, Michael, Johansson, Erik M. J., Rensmo, Håkan

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 718 KB

english, 2014

4

Diffraction and IR/Raman data do not prove tetrahedral water

Leetmaa, Mikael, Wikfeldt, Kjartan Thor, Ljungberg, Mathias P., Odelius, Michael, Swenson, Jan, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 691 KB

english, 2008

5

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Pinjari, Rahul V., Delcey, Mickaël G., Guo, Meiyuan, Odelius, Michael, Lundberg, Marcus

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

6

AIP Conference Proceedings [Author(s) DAE SOLID STATE PHYSICS SYMPOSIUM 2015 - Uttar Pradesh, India (21–25 December 2015)] - Dye-sensitization of CdS nano-cage - A density functional theory approach

Jain, Kalpna, Kishor, Shyam, Singh, Kh. S., Josefsson, Ida, Odelius, Michael, Ramaniah, Lavanya M.

Year:

2016

Language:

english

File:

PDF, 893 KB

english, 2016

7

Structural and electronic properties of nitrogenated holey nanotubes: A density functional theory study

Majidi, Roya, Odelius, Michael, AlTaha, Shafigheh

Journal:

Diamond and Related Materials

Year:

2018

Language:

english

File:

PDF, 827 KB

english, 2018

8

Soft-X-ray Spectroscopy of the Amine Group: Hydrogen Bond Motifs in Alkylamine/Alkylammonium Acid-Base Pairs

Ekimova, Maria, Kubin, Markus, Ochmann, Miguel, Ludwig, Jan, Huse, Nils, Wernet, Philippe, Odelius, Michael, Nibbering, Erik T. J.

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 1.61 MB

english, 2018

9

H-bond switching and ligand exchange dynamics in aqueous ionic solution

Kelly J. Gaffney, Minbiao Ji, Michael Odelius, Sungnam Park, Zheng Sun

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 690 KB

english, 2011

10

Bi-isonicotinic acid on rutile (1 1 0): calculated molecular and electronic structure

Michael Odelius, Petter Persson, Sten Lunell

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 251 KB

english, 2003

11

Excited state geometries within time-dependent and restricted open-shell density functional theories

Michael Odelius, Dimitri Laikov, Jürg Hutter

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 193 KB

english, 2003

12

Simple nonempirical calculations of the zero-field splitting in transition metal systems: I. The Ni(II)–Water complexes

Carl Ribbing, Michael Odelius, Aatto Laaksonen, Jozef Kowalewski, Björn Roos

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 806 KB

english, 1990

13

Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor

Schnadt, Joachim, Brühwiler, Paul A., Patthey, Luc, O'Shea, James N., Södergren, Sven, Odelius, Michael, Ahuja, Rajeev, Karis, Olof, Bässler, Margit, Persson, Petter

Journal:

Year:

2002

Language:

english

File:

PDF, 272 KB

english, 2002

14

The local structure of protonated water from x-ray absorption and density functional theory

Cavalleri, Matteo, Näslund, Lars-Åke, Edwards, David C., Wernet, Philippe, Ogasawara, Hirohito, Myneni, Satish, Ojamäe, Lars, Odelius, Michael, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 385 KB

english, 2006

15

Dissecting Local Atomic and Intermolecular Interactions of Transition-Metal Ions in Solution with Selective X-ray Spectroscopy

Wernet, Philippe, Kunnus, Kristjan, Schreck, Simon, Quevedo, Wilson, Kurian, Reshmi, Techert, Simone, de Groot, Frank M. F., Odelius, Michael, Föhlisch, Alexander

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.00 MB

english, 2012

16

Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra?

Leetmaa, Mikael, Ljungberg, Mathias, Ogasawara, Hirohito, Odelius, Michael, Näslund, Lars-Åke, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 465 KB

english, 2006

17

Molecular dynamics simulation of the zero-field splitting fluctuations in aqueous Ni(II)

Odelius, Michael, Ribbing, Carl, Kowalewski, Jozef

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 602 KB

english, 1995

18

Molecular Dynamics Simulations of Quadrupolar Relaxation of 131Xe in Methanol. An Ellipsoidal Picture of the Electric Field Gradient Tensor

Odelius, Michael

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1000 KB

english, 1994

19

Quadrupolar Relaxation of 21 Ne, 83 Kr, and 131 Xe Dissolved in Acetonitrile. A Molecular Dynamics Study

Odelius, Michael, Holz, Manfred, Laaksonen, Aatto

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 163 KB

english, 1997

20

[Theoretical and Computational Chemistry] Molecular Dynamics - From Classical to Quantum Methods Volume 7 || Combined MD simulation - NMR relaxation studies of molecular motion and intermolecular interactions

Odelius, Michael

Year:

1999

Language:

english

File:

PDF, 2.45 MB

english, 1999

21

Ultrafast Dynamics of Hydrogen Bond Exchange in Aqueous Ionic Solutions

Park, Sungnam, Odelius, Michael, Gaffney, Kelly J.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.70 MB

english, 2009

22

Molecular dynamics simulation of nuclear spin relaxation of 7Li+ in water

Odelius, Michael, Kowalewski, Jozef

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1995

Language:

english

File:

PDF, 1.33 MB

english, 1995

23

Molecular dynamics simulations of quadrupolar relaxation of 131 Xe in carbon tetrachloride, acetonitrile, and methanol

Odelius, Michael, Laaksonen, Aatto

Journal:

Molecular Physics

Year:

1994

Language:

english

File:

PDF, 785 KB

english, 1994

24

Hydration Dynamics of Aqueous Nitrate

Thøgersen, Jan, Réhault, Julien, Odelius, Michael, Ogden, Tom, Jena, Naresh K., Jensen, Svend J. Knak, Keiding, Søren R., Helbing, Jan

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

25

From Ligand Fields to Molecular Orbitals: Probing the Local Valence Electronic Structure of Ni 2+ in Aqueous Solution with Resonant Inelastic X-ray Scattering

Kunnus, Kristjan, Josefsson, Ida, Schreck, Simon, Quevedo, Wilson, Miedema, Piter S., Techert, Simone, de Groot, Frank M. F., Odelius, Michael, Wernet, Philippe, Föhlisch, Alexander

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.58 MB

english, 2013

26

Spin−Orbit Coupling and Metal−Ligand Interactions in Fe(II), Ru(II), and Os(II) Complexes

Johansson, Erik M. J., Odelius, Michael, Plogmaker, Stefan, Gorgoi, Mihaela, Svensson, Svante, Siegbahn, Hans, Rensmo, Håkan

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.81 MB

english, 2010

27

Cations Strongly Reduce Electron-Hopping Rates in Aqueous Solutions

Ottosson, Niklas, Odelius, Michael, Spångberg, Daniel, Pokapanich, Wandared, Svanqvist, Mattias, Öhrwall, Gunnar, Winter, Bernd, Björneholm, Olle

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.89 MB

english, 2011

28

Information Content in O[1s] K-edge X-ray Emission Spectroscopy of Liquid Water

Odelius, Michael

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 415 KB

english, 2009

29

Solvent Dependence of the Electronic Structure of I – and I 3–

Eriksson, Susanna K., Josefsson, Ida, Ottosson, Niklas, Öhrwall, Gunnar, Björneholm, Olle, Siegbahn, Hans, Hagfeldt, Anders, Odelius, Michael, Rensmo, Håkan

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

30

s-Tetrazine in Aqueous Solution: A Density Functional Study of Hydrogen Bonding and Electronic Excitations

Odelius, Michael, Kirchner, Barbara, Hutter, Jürg

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 161 KB

english, 2004

31

Collective hydrogen-bond dynamics dictates the electronic structure of aqueous I3−

Josefsson, Ida, Eriksson, Susanna K., Ottosson, Niklas, Öhrwall, Gunnar, Siegbahn, Hans, Hagfeldt, Anders, Rensmo, Håkan, Björneholm, Olle, Odelius, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.42 MB

english, 2013

32

Electronic and molecular structures of organic dye/TiO2 interfaces for solar cell applications: a core level photoelectron spectroscopy study

Hahlin, Maria, Johansson, Erik M. J., Plogmaker, Stefan, Odelius, Michael, Hagberg, Daniel P., Sun, Licheng, Siegbahn, Hans, Rensmo, Håkan

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.29 MB

english, 2010

33

Half or full core hole in density functional theory X-ray absorption spectrum calculations of water?

Cavalleri, Matteo, Odelius, Michael, Nordlund, Dennis, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 548 KB

english, 2005

34

[IEEE 21st International Symposium on High Performance Computing Systems and Applications (HPCS'07) - Saskatoon, SK, Canada (2007.05.13-2007.05.16)] 21st International Symposium on High Performance Computing Systems and Applications (HPCS'07) - Utility of High Performance Computing Facilities for the Calculation of the Theoretical X-ray Absorption Spectra of Solids

Shaw, Dawn M., Odelius, Michael, Tse, John S.

Year:

2007

Language:

english

File:

PDF, 302 KB

english, 2007

35

Theoretical X-ray absorption investigation of the uniaxial compression of hexagonal graphite

Shaw, Dawn M, Odelius, Michael, Tse, John S

Journal:

Canadian Journal of Chemistry

Year:

2007

Language:

english

File:

PDF, 429 KB

english, 2007

36

Spectroscopy and picosecond dynamics of aqueous NO2

Gadegaard, Ane Riis, Thøgersen, Jan, Jensen, Svend Knak, Nielsen, Jakob Brun, Jena, Naresh K., Odelius, Michael, Jensen, Frank, Keiding, Søren Rud

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 665 KB

english, 2014

37

Spin dynamics under the Hamiltonian varying with time in discrete steps: Molecular dynamics-based simulation of electron and nuclear spin relaxation in aqueous nickel(II)

Odelius, Michael, Ribbing, Carl, Kowalewski, Jozef

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 400 KB

english, 1996

38

Ultrafast Core-Hole-Induced Dynamics in Water Probed by X-Ray Emission Spectroscopy

Odelius, Michael, Ogasawara, Hirohito, Nordlund, Dennis, Fuchs, Oliver, Weinhardt, Lothar, Maier, Florian, Umbach, Eberhard, Heske, Clemens, Zubavichus, Yan, Grunze, Michael, Denlinger, Jonathan D., P

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 145 KB

english, 2005

39

Photoemission core-level shifts reveal the thiolate-Au(111) interface

Grönbeck, Henrik, Odelius, Michael

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 214 KB

english, 2010

40

Photodissociation of diiodomethane in acetonitrile solution and fragment recombination into iso-diiodomethane studied with ab initio molecular dynamics simulations

Odelius, Michael, Kadi, Malin, Davidsson, Jan, Tarnovsky, Alexander N.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 316 KB

english, 2004

41

Theoretical study of ion desorption from poly-(methyl methacrylate) and poly-(isopropenyl acetate) thin films through core excitation

Takahashi, Osamu, Tabayashi, Kiyohiko, Wada, Shin-ichi, Sumii, Ryouhei, Tanaka, Kenichiro, Odelius, Michael, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 368 KB

english, 2006

42

X-ray absorption spectrum of liquid water from molecular dynamics simulations: Asymmetric model

Odelius, Michael, Cavalleri, Matteo, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 162 KB

english, 2006

43

Publisher's Note: “Restricted active space calculations of L-edge x-ray absorption spectra: From molecular orbits to multiplet states” [J. Chem. Phys. 141, 124116 (2014)]

Pinjari, Rahul V., Delcey, Mickaël G., Guo, Meiyuan, Odelius, Michael, Lundberg, Marcus

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 263 KB

english, 2014

44

Mixed Molecular and Dissociative Water Adsorption on MgO[100]

Odelius, Michael

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 180 KB

english, 1999

45

-edge x-ray emission spectra of liquid water and ice

Odelius, Michael

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 246 KB

english, 2009

46

X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework

Cavalleri, Matteo, Odelius, Michael, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 593 KB

english, 2004

47

Simple non-empirical calculations of the zero field splitting in transition metal systems

Ribbing, Carl, Odelius, Michael, Kowalewski, Jozef

Journal:

Molecular Physics

Year:

1991

Language:

english

File:

PDF, 1.00 MB

english, 1991

48

Auger decay calculations with core-hole excited-state molecular-dynamics simulations of water

Takahashi, Osamu, Odelius, Michael, Nordlund, Dennis, Nilsson, Anders, Bluhm, Hendrik, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 874 KB

english, 2006

49

Solvent-Dependent Structure of the I 3− Ion Derived from Photoelectron Spectroscopy and Ab Initio Molecular Dynamics Simulations

Jena, Naresh K., Josefsson, Ida, Eriksson, Susanna K., Hagfeldt, Anders, Siegbahn, Hans, Björneholm, Olle, Rensmo, Håkan, Odelius, Michael

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 909 KB

english, 2015

50

Correlating Infrared and X-ray Absorption Energies for Molecular-Level Insight into Hydrogen Bond Making and Breaking in Solution

Prémont-Schwarz, Mirabelle, Schreck, Simon, Iannuzzi, Marcella, Nibbering, Erik T. J., Odelius, Michael, Wernet, Philippe

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015