Wikfeldt, K. T.: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

Cisneros, Gerardo Andrés, Wikfeldt, Kjartan Thor, Ojamäe, Lars, Lu, Jibao, Xu, Yao, Torabifard, Hedieh, Bartók, Albert P., Csányi, Gábor, Molinero, Valeria, Paesani, Francesco

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 6.48 MB

english, 2016

2

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

3

A transferable H2O interaction potential based on a single center multipole expansion: SCME

Wikfeldt, K. T., Batista, E. R., Vila, F. D., Jónsson, H.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.02 MB

english, 2013

4

Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects

Wikfeldt, K. T., Michaelides, A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 860 KB

english, 2014

5

The inhomogeneous structure of water at ambient conditions

Huang, C., Wikfeldt, K. T., Tokushima, T., Nordlund, D., Harada, Y., Bergmann, U., Niebuhr, M., Weiss, T. M., Horikawa, Y., Leetmaa, M.

Journal:

Proceedings of the National Academy of Sciences

Year:

2009

Language:

english

File:

PDF, 888 KB

english, 2009

6

On the Range of Water Structure Models Compatible with X-ray and Neutron Diffraction Data

Wikfeldt, Kjartan T., Leetmaa, Mikael, Ljungberg, Mathias P., Nilsson, Anders, Pettersson, Lars G. M.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.24 MB

english, 2009

7

Quantum Effects in the Diffusion of Hydrogen on Ru(0001)

McIntosh, Eliza M., Wikfeldt, K. Thor, Ellis, John, Michaelides, Angelos, Allison, William

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 838 KB

english, 2013

8

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

Møgelhøj, Andreas, Kelkkanen, André K., Wikfeldt, K. Thor, Schiøtz, Jakob, Mortensen, Jens Jørgen, Pettersson, Lars G. M., Lundqvist, Bengt I., Jacobsen, Karsten W., Nilsson, Anders, Nørskov, Jens K.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.40 MB

english, 2011

9

Wide-angle X-ray diffraction and molecular dynamics study of medium-range order in ambient and hot water

Huang, Congcong, Wikfeldt, K. T., Nordlund, D., Bergmann, U., McQueen, T., Sellberg, J., Pettersson, L. G. M., Nilsson, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.39 MB

english, 2011

10

Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water

Wikfeldt, K. T., Huang, C., Nilsson, A., Pettersson, L. G. M.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

11

The Boson peak in supercooled water

Kumar, Pradeep, Wikfeldt, K. Thor, Schlesinger, Daniel, Pettersson, Lars G. M., Stanley, H. Eugene

Journal:

Scientific Reports

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

12

Increasing correlation length in bulk supercooled H[sub 2]O, D[sub 2]O, and NaCl solution determined from small angle x-ray scattering

Huang, Congcong, Weiss, T. M., Nordlund, D., Wikfeldt, K. T., Pettersson, L. G. M., Nilsson, A.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 492 KB

english, 2010

13

Spatially inhomogeneous bimodal inherent structure of simulated liquid water

Wikfeldt, K. T., Nilsson, A., Pettersson, L. G. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.04 MB

english, 2011

14

Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts

Anniyev, Toyli, Ogasawara, Hirohito, Ljungberg, Mathias P., Wikfeldt, Kjartan T., MacNaughton, Janay B., Näslund, Lars-Åke, Bergmann, Uwe, Koh, Shirlaine, Strasser, Peter, Pettersson, Lars G.M., Nilss

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.42 MB

english, 2010

15

Oxygen-oxygen correlations in liquid water: Addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting technique

Wikfeldt, Kjartan Thor, Leetmaa, Mikael, Mace, Amber, Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 471 KB

english, 2010

16

Triplet correlation functions in liquid water

Dhabal, Debdas, Singh, Murari, Wikfeldt, Kjartan Thor, Chakravarty, Charusita

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 850 KB

english, 2014

17

Selective Probing of the OH or OD Stretch Vibration in Liquid Water Using Resonant Inelastic Soft-X-Ray Scattering

Harada, Yoshihisa, Tokushima, Takashi, Horikawa, Yuka, Takahashi, Osamu, Niwa, Hideharu, Kobayashi, Masaki, Oshima, Masaharu, Senba, Yasunori, Ohashi, Haruhiko, Wikfeldt, Kjartan Thor, Nilsson, Anders

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

18

Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs

Huang, C., Wikfeldt, K. T., Tokushima, T., Nordlund, D., Harada, Y., Bergmann, U., Niebuhr, M., Weiss, T. M., Horikawa, Y., Leetmaa, M., Ljungberg, M. P., Takahashi, O., Lenz, A., Ojamae, L., Lyubarts

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 437 KB

english, 2010

19

Molecular reordering processes on ice (0001) surfaces from long timescale simulations

Pedersen, Andreas, Wikfeldt, Kjartan T., Karssemeijer, Leendertjan, Cuppen, Herma, Jónsson, Hannes

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.11 MB

english, 2014

20

SpecSwap-RMC: a novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties

Leetmaa, Mikael, Wikfeldt, Kjartan Thor, Pettersson, Lars G M

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 432 KB

english, 2010

21

Requirements of first-principles calculations of X-ray absorption spectra of liquid water

Fransson, Thomas, Zhovtobriukh, Iurii, Coriani, Sonia, Wikfeldt, Kjartan T., Norman, Patrick, Pettersson, Lars G. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.73 MB

english, 2016

22

Nuclear quantum effects in a 1-D model of hydrogen bonded ferroelectrics

Journal:

Journal of Physics Conference Series

Year:

2014

Language:

english

File:

PDF, 2.72 MB

english, 2014

23

Long-Time Scale Simulations of Tunneling-Assisted Diffusion of Hydrogen on Ice Surfaces at Low Temperature

Ásgeirsson, V., Jónsson, H., Wikfeldt, K. T.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.93 MB

english, 2017

24

Probing the triplet correlation function in liquid water by experiments and molecular simulations

Dhabal, Debdas, Wikfeldt, Kjartan Thor, Skinner, Lawrie B., Chakravarty, Charusita, Kashyap, Hemant K.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

25

The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water

Schlesinger, Daniel, Wikfeldt, K. Thor, Skinner, Lawrie B., Benmore, Chris J., Nilsson, Anders, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 6.44 MB

english, 2016

26

The structural validity of various thermodynamical models of supercooled water

Pathak, H., Palmer, J. C., Schlesinger, D., Wikfeldt, K. T., Sellberg, J. A., Pettersson, L. G. M., Nilsson, A.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 572 KB

english, 2016

27

Mechanism of enhancement of ferroelectricity of croconic acid with temperature

Mukhopadhyay, Sanghamitra, Gutmann, Matthias J, Jimenez-Ruiz, Monica, Jochym, Dominik B, Wikfeldt, Kjartan T, Refson, Keith, Fernandez-Alonso, Felix

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 668 KB

english, 2017

28

Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics

Perakis, Fivos, Camisasca, Gaia, Lane, Thomas J., Späh, Alexander, Wikfeldt, Kjartan Thor, Sellberg, Jonas A., Lehmkühler, Felix, Pathak, Harshad, Kim, Kyung Hwan, Amann-Winkel, Katrin, Schreck, Simon

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

29

Radial distribution functions of water: Models vs experiments

Camisasca, Gaia, Pathak, Harshad, Wikfeldt, Kjartan Thor, Pettersson, Lars G. M.

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.69 MB

english, 2019