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Publications 1998 2018

2018

The isotropic Compton profile difference across the phase transition of VO2

Ruotsalainen, K. O., Inkinen, J., Pylkkänen, T., Buslaps, T., Hakala, M., Hämäläinen, K. & Huotari, S., 3 Oct 2018, In : European Physical Journal B. Condensed Matter and Complex Systems. 91, 10, 6 p., 225.

Research output: Contribution to journalArticleScientificpeer-review

2016

Multiresolution Parameter Choice Method for Total Variation Regularized Tomography

Niinimäki, K., Lassas, M., Hämäläinen, K., Kallonen, A., Kolehmainen, V., Niemi, E. & Siltanen, S., 2016, In : SIAM journal on imaging sciences . 9, 3, p. 938-974 37 p.

Research output: Contribution to journalArticleScientificpeer-review

Resonant X-ray emission with a standing wave excitation

Ruotsalainen, K. O., Honkanen, A-P., Collins, S. P., Monaco, G., Moretti Sala, M., Krisch, M., Hämäläinen, K., Hakala, M. & Huotari, S., 3 Mar 2016, In : Scientific Reports. 6, 5 p., 22648 .

Research output: Contribution to journalArticleScientificpeer-review

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2015

Dynamic multi-source X-ray tomography using a spacetime level set method

Niemi, E., Lassas, M., Kallonen, A., Harhanen, L., Hamalainen, K. & Siltanen, S., 15 Jun 2015, In : Journal of Computational Physics. 291, p. 218-237 20 p.

Research output: Contribution to journalArticleScientificpeer-review

Inelastic x-ray scattering in heterostructures: electronic excitations in LaAlO3/SrTiO3

Ruotsalainen, K. O., Sahle, C. J., Ritschel, T., Geck, J., Hosoda, M., Bell, C., Hikita, Y., Hwang, H., Fister, T., Gordon, R. A., Hämäläinen, K., Hakala, M. & Huotari, S., 29 Jul 2015, In : Journal of Physics. Condensed Matter. 27, 33, 10 p., 335501.

Research output: Contribution to journalArticleScientificpeer-review

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2014

Bench-top X-ray microtomography complemented with spatially localized X-ray scattering experiments

Suuronen, J-P., Kallonen, A. P., Hänninen, V., Blomberg, M., Hämäläinen, K. & Serimaa, R., 2014, In : Journal of Applied Crystallography. 47, p. 471-475 5 p.

Research output: Contribution to journalArticleScientificpeer-review

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Effect of the Hydrophobic Alcohol Chain Length on the Hydrogen-Bond Network of Water

Juurinen, I., Pylkkänen, T., Sahle, C., Simonelli, L., Hämäläinen, K., Huotari, S. & Hakala, M. O., 24 Jul 2014, In : Journal of Physical Chemistry B. 118, 29, p. 8750-8755 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Interplay between Temperature-Activated Vibrations and Nondipolar Effects in the Valence Excitations of the CO2 Molecule

Inkinen, J., Niskanen, J., Sakko, A., Ruotsalainen, K., Pylkkänen, T., Galambosi, S., Hakala, M. O., Monaco, G., Hamalainen, K. & Huotari, S., 31 Mar 2014, In : Journal of Physical Chemistry A. 118, p. 3288-3294 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Intra- and intermolecular effects on the Compton profile of the ionic liquid 1,3-dimethylimidazolium chloride

Koskelo, J., Juurinen, I., Ruotsalainen, K. O., McGrath, M. J., Kuo, I-F., Lehtola, S., Galambosi, S., Hämäläinen, K., Huotari, S. & Hakala, M., 28 Dec 2014, In : Journal of Chemical Physics. 141, 24, 6 p., 244505.

Research output: Contribution to journalArticleScientificpeer-review

Molecular-Level Changes of Aqueous Poly(N-isopropylacrylamide) in Phase Transition

Juurinen, I., Galambosi, S., Anghelescu-Hakala, A. G., Koskelo, J., Honkimaki, V., Hamalainen, K., Huotari, S. & Hakala, M. O., 22 May 2014, In : Journal of Physical Chemistry B. 118, 20, p. 5518-5523 6 p.

Research output: Contribution to journalArticleScientificpeer-review

The origin and loss of periodic patterning in the turtle shell

Moustakas-Verho, J. E., Zimm, R., Cebra-Thomas, J., Lempiainen, N. K., Kallonen, A., Mitchell, K. L., Hämäläinen, K., Salazar Ciudad, I., Jernvall, J. & Gilbert, S. F., Aug 2014, In : Development. 141, 15, p. 3033-3039 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Total variation regularization for large-scale X-ray tomography

Hämäläinen, K., Harhanen, L., Hauptmann, A., Kallonen, A., Niemi, E. & Siltanen, S., 2014, In : International Journal of Tomography and Simulation. 25, 1, p. 1-25

Research output: Contribution to journalArticleScientificpeer-review

2013

Contraction of completeness-optimized basis sets: Application to ground-state electron momentum densities

Lehtola, S. S., Manninen, P., Hakala, M. O. & Hämäläinen, K., 28 Jan 2013, In : Journal of Chemical Physics. 138, p. 044109 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Microscopic structure of water at elevated pressures and temperatures

Sahle, C. J., Sternemann, C., Schmidt, C., Lehtola, S., Jahn, S., Simonelli, L., Huotari, S., Hakala, M., Pylkkänen, T., Nyrow, A., Mende, K., Tolan, M., Hämäläinen, K. & Wilke, M., 16 Apr 2013, In : Proceedings of the National Academy of Sciences of the United States of America. 110, 16, p. 6301-6303 3 p.

Research output: Contribution to journalArticleScientificpeer-review

Saturation Behavior in X-ray Raman Scattering Spectra of Aqueous LiCl

Juurinen, I., Pylkkänen, T., Ruotsalainen, K. O., Sahle, C. J., Monaco, G., Hämäläinen, K., Huotari, S. & Hakala, M., 10 Dec 2013, In : Journal of Physical Chemistry B. 117, 51, p. 16506-16511 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Sparse tomography

Hämäläinen, K., Kallonen, A. P., Kolehmainen, V., Lassas, M., Niinimäki, K. & Siltanen, M. S., 2013, In : SIAM Journal on Scientific Computing. 35, 3, p. B644-B665 22 p.

Research output: Contribution to journalArticleScientificpeer-review

Temperature dependence of CO2 and N2 core-electron excitation spectra at high pressure

Inkinen, J., Sakko, A., Ruotsalainen, K. O., Pylkkänen, T., Niskanen, J., Galambosi, S., Hakala, M., Monaco, G., Huotari, S. & Hämäläinen, K., 2013, In : Physical Chemistry Chemical Physics. 15, 23, p. 9231-9238 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2012

Completeness-optimized basis sets: Application to ground-state electron momentum densities

Lehtola, J., Manninen, P., Hakala, M. & Hämäläinen, K., 2012, In : Journal of Chemical Physics. 137, 10, p. 104105 8 p.

Research output: Contribution to journalArticleScientificpeer-review

ERKALE - A flexible program package for X-ray properties of atoms and molecules

Lehtola, J., Hakala, M., Sakko, A. & Hämäläinen, K., 2012, In : Journal of Computational Chemistry. 33, 18, p. 1572-1585 14 p.

Research output: Contribution to journalArticleScientificpeer-review

Momentum distribution and Compton profile by the ab initio GW approximation

Olevano, V., Titov, A., Ladisa, M., Hamalainen, K., Huotari, S. & Holzmann, M., 16 Nov 2012, In : Physical Review B, Condensed Matter and Materials Physics. 86, 19, p. 195123 13 p.

Research output: Contribution to journalArticleScientificpeer-review

On the difficulty of increasing dental complexity

Harjunmaa, E., Kallonen, A., Voutilainen, M., Hämäläinen, K., Mikkola, M. L. & Jernvall, J., 2012, In : Nature. 483, 7389, p. 324-328 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Tablet preformulations of indomethacin-loaded mesoporous silicon microparticles

Tahvanainen, M., Rotko, T., Makila, E., Santos, H. A., Neves, D., Laaksonen, T., Kallonen, A., Hämäläinen, K., Peura, M., Serimaa, R., Salonen, J., Hirvonen, J. & Peltonen, L., 2012, In : International Journal of Pharmaceutics. 422, 1-2, p. 125-131 7 p.

Research output: Contribution to journalArticleScientificpeer-review

X-ray-Raman-scattering-based EXAFS beyond the dipole limit

Huotari, S., Pylkkänen, T., Soininen, J. A., Kas, J. J., Hämäläinen, K. & Monaco, G., Jan 2012, In : Journal of Synchrotron Radiation. 19, 1, p. 106-113 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2011

Anisotropic excitonic effects in the energy loss function of hexagonal boron nitride

Galambosi, S., Wirtz, L., Soininen, J. A., Serrano, J., Marini, A., Watanabe, K., Taniguchi, T., Huotari, S., Rubio, A. & Hamalainen, K., 2011, In : Physical Review B, Condensed Matter and Materials Physics. 83, p. 081413(R) 4 p.

Research output: Contribution to journalArticleScientificpeer-review

Calculation of isotropic Compton profiles with Gaussian basis sets

Lehtola, J., Hakala, M., Vaara, J. & Hämäläinen, K., 2011, In : Physical Chemistry Chemical Physics. 2011, 13, p. 5630-5641 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Direct tomography with chemical-bond contrast

Huotari, S., Pylkkänen, T., Verbeni, R., Monaco, G. & Hämäläinen, K., Jul 2011, In : Nature Materials. 10, p. 489-493 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

Hakala, M., Marushkevich, K., Khriachtchev, L., Hämäläinen, K. & Räsänen, M., 2011, In : Journal of Chemical Physics. 134, 5, p. 054506 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Ichnological trends along an open-water transect across a large marginal-marine epicontinental basin, the modern Baltic Sea

Virtasalo, J. J., Bonsdorff, E., Moros, M., Kabel, K., Kotilainen, A. T., Ryabchuk, D., Kallonen, A. & Hamalainen, K., 2011, In : Sedimentary Geology. 241, p. 40-51 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Inelastic X-ray scattering and vibrational effects at the K-edges of gaseous N2, N2O, and CO2

Sakko, A., Galambosi, S., Inkinen, J., Pylkkänen, T., Hakala, M., Huotari, S. & Hämäläinen, K., 2011, In : Physical Chemistry Chemical Physics. 13, 24, p. 11678-11685 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Measurement of Two Solvation Regimes in Water-Ethanol Mixtures Using X-Ray Compton Scattering

Juurinen, I., Nakahara, K., Ando, N., Nishiumi, T., Seta, H., Yoshida, N., Morinaga, T., Itou, M., Ninomiya, T., Sakurai, Y., Salonen, E., Nordlund, K., Hamalainen, K. & Hakala, M., 2011, In : Physical Review Letters. 107, 19, p. 197401 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Miksi teepussi kelluu oudosti?

Hämäläinen, K., 25 Jan 2011, In : Helsingin Sanomat.

Research output: Contribution to journalArticleGeneral public

Reexamining the Lyman-Birge-Hopfield band of N2

Bradley, J. A., Sakko, A., Seidler, G. T., Rubio, A., Hakala, M., Hamalainen, K., Cooper, G., Hitchcock, A. P., Schlimmer, K. & Nagle, K. P., 2011, In : Physical Review A (Atomic, Molecular and Optical Physics). 84, p. 022510 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Temperature Dependence of the Near-Edge Spectrum of Water

Pylkkänen, T., Sakko, A., Hakala, M. O., Hämäläinen, K., Monaco, G. & Huotari, S., 2011, In : Journal of Physical Chemistry B. 115, 49, p. 14544-14550 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Temperature-Induced Structural Changes of Tetrahydrofuran Clathrate and of the Liquid Water/Tetrahydrofuran Mixture

Lehmkuehler, F., Sakko, A., Steinke, I., Sternemann, C., Hakala, M., Sahle, C., Buslaps, T., Simonelli, L., Galambosi, S., Paulus, M., Pylkkanen, T., Tolan, M. & Hamalainen, K., 2011, In : Journal of Physical Chemistry C. 115, 43, p. 21009-21015 7 p.

Research output: Contribution to journalArticleScientificpeer-review

2010

Anomalous energetics in tetrahydrofuran clathrate hydrate revealed by x-ray Compton scattering

Lehmkuehler, F., Sakko, A., Sternemann, C., Hakala, M. O., Nygard, K., Sahle, C. J., Galambosi, S., Steinke, I., Tiemeyer, S., Nyrow, A., Buslaps, T., Pontoni, D., Tolan, M. & Hämäläinen, K., 2010, In : Journal of Physical Chemistry Letters. 1, p. 2832-2836 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Miksi tina räjähti kylmästä?

Hämäläinen, K., 28 Dec 2010, In : Helsingin Sanomat.

Research output: Contribution to journalArticleGeneral public

Momentum Distribution and Renormalization Factor in Sodium and the Electron Gas

Huotari, S., Soininen, J. A., Pylkkanen, T., Hamalainen, K., Issolah, A., Titov, A., McMinis, J., Kim, J., Esler, K., Ceperley, D. M., Holzmann, M. & Olevano, V., 2010, In : Physical Review Letters. 105, 8, p. 086403 (2010) 4 p.

Research output: Contribution to journalArticleScientificpeer-review

Phase separation and Si nanocrystal formation in bulk SiO studied by x-ray scattering

Feroughi, O. M., Sternemann, C., Sahle, C., Schroer, M. A., Sternemann, H., Conrad, H., Hohl, A., Seidler, G. T., Bradley, J., Fister, T. T., Balasubramanian, M., Sakko, A., Pirkkalainen, K., Hämäläinen, K. & Tolan, M., 2010, In : Applied Physics Letters. 96, p. 081912 3 p.

Research output: Contribution to journalArticleScientificpeer-review

Professorit paljastavat vuoden tärkeimmät asiat

Hämäläinen, K., 1 Dec 2010, In : Aviisi. 2010, 17

Research output: Contribution to journalArticleGeneral public

Role of Non-Hydrogen-Bonded Molecules in the Oxygen K-Edge Spectrum of Ice

Pylkkänen, T., Giordano, V. M., Chervin, J-C., Sakko, A., Hakala, M., Soininen, J. A., Hämäläinen, K., Monaco, G. & Huotari, S., 2010, In : Journal of Physical Chemistry B. 114, 11, p. 3804-3808 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Structure of Liquid Linear Alcohols

Lehtola, J., Hakala, M. & Hämäläinen, K., 23 Apr 2010, In : Journal of Physical Chemistry B. 114, 19, p. 6426-6436 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Suboxide interface in disproportionating a-SiO studied by x-ray Raman scattering

Sakko, A., Sternemann, C., Sahle, C. J., Sternemann, H., Feroughi, O. M., Conrad, H., Djurabekova, F., Hohl, A., Seidler, G. T., Tolan, M. & Hämäläinen, K., 2010, In : Physical Review B, Condensed Matter and Materials Physics. 81, 20, p. 205317 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules

Sakko, A., Rubio, A., Hakala, M. & Hämäläinen, K., 2010, In : Journal of Chemical Physics. 133, 17, p. 174111 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Universal Signature of Hydrogen Bonding in the Oxygen K-Edge Spectrum of Alcohols

Pylkkänen, T., Lehtola, J., Hakala, M., Sakko, A., Monaco, G., Huotari, S. & Hämäläinen, K., 2010, In : Journal of Physical Chemistry B. 114, 41, p. 13076-13083 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2009

Charge localization in alcohol isomers studied by Compton scattering

Hakala, M., Nygård, K., Vaara, J., Itou, M., Sakurai, Y. & Hämäläinen, K., 2009, In : Journal of Chemical Physics. 130, 3, p. 034506-1-034506-8 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Khα1,2 hypersatellites of 3d transition metals and their photoexcitation energy dependence

Diamant, R., Huotari, S., Hämäläinen, K., Sharon, R., Kao, C. C. & Deutsch, M., 2009, In : Physical Review A (Atomic, Molecular and Optical Physics). 79, 6, p. 062511 17 p.

Research output: Contribution to journalArticleScientificpeer-review

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K -shell diagram and hypersatellite spectra of 4d transition elements

Diamant, R., Huotari, S., Hämäläinen, K., Sharon, R., Kao, C. C., Honkimäki, V., Buslaps, T. & Deutsch, M., 2009, In : Physical Review A (Atomic, Molecular and Optical Physics). 79, 6, p. 062512 12 p.

Research output: Contribution to journalArticleScientificpeer-review

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Phase separation and nanocrystal formation in GeO

Sahle, C., Sternemann, C., Conrad, H., Herdt, A., Feroughi, O. M., Tolan, M., Hohl, A., Wagner, R., Lützenkirchen-Hecht, D., Frahm, R., Sakko, A. & Hämäläinen, K., 2009, In : Applied Physics Letters. 95, p. 021910 3 p.

Research output: Contribution to journalArticleScientificpeer-review

Tetrahydrofuran Clathrate Hydrate Formation

Conrad, H., Lehmkuhler, F., Sternemann, C., Sakko, A., Paschek, D., Simonelli, L., Huotari, S., Feroughi, O., Tolan, M. & Hämäläinen, K., 2009, In : Physical Review Letters. 103, 21, p. 218301 4 p.

Research output: Contribution to journalArticleScientificpeer-review

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2008

Electron-hole counts in Al-substituted MgB2 superconductors from x-ray Raman scattering

Mattila, A., Soininen, J. A., Galambosi, S., Pylkkänen, T., Huotari, S., Zhigadlo, N. D., Karpinski, J. & Hämäläinen, K., 2008, In : Physical Review B, Condensed Matter and Materials Physics. 78, 6, p. 064517 5 p.

Research output: Contribution to journalArticleScientificpeer-review