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Pekka Pyykkö

19972020

Research output per year

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2020

Structural trends in atomic nuclei from laser spectroscopy of tin

Yordanov, D. T., Rodriguez, L. V., Balabanski, D. L., Bieron, J., Bissell, M. L., Blaum, K., Cheal, B., Ekman, J., Gaigalas, G., Garcia Ruiz, R. F., Georgiev, G., Gins, W., Godefroid, M. R., Gorges, C., Harman, Z., Heylen, H., Jönsson, P., Kanellakopoulos, A., Kaufmann, S., Keitel, C. H. & 21 others, Lagaki, V., Lechner, S., Maass, B., Malbrunot-Ettenauer, S., Nazarewicz, W., Neugart, R., Neyens, G., Noertershaeuser, W., Oreshkina, N. S., Papoulia, A., Pyykkö, P., Reinhard, P-G., Sailer, S., Sanchez, R., Schiffmann, S., Schmidt, S., Wehner, L., Wraith, C., Xie, L., Xu, Z. & Yang, X., 8 Jun 2020, In : Communications physics. 3, 1, 9 p., 107.

Research output: Contribution to journalArticleScientificpeer-review

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2019

An essay on periodic tables

Pyykkö, P., Dec 2019, In : Pure and Applied Chemistry. 91, 12, p. 1959-1967 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Simple Estimates for Eutectic Behavior

Pyykkö, P., 7 Jan 2019, In : ChemPhysChem. 20, 1, p. 123-127 5 p.

Research output: Contribution to journalArticleScientificpeer-review

2018

Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q(Zn-67)

Bieron, J., Filippin, L., Gaigalas, G., Godefroid, M., Jönsson, P. & Pyykkö, P., 14 Jun 2018, In : Physical Review A. 97, 6, 12 p., 062505.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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The argon nuclear quadrupole moments

Sundholm, D. & Pyykkö, P., 2018, In : Molecular physics. 116, 13, p. 1682-1686 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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Year-2017 nuclear quadrupole moments

Pyykkö, P., 1 Feb 2018, In : Molecular Physics. 116, 10, p. 1328-1338 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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2017

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides

Dognon, J-P. & Pyykkö, P., 14 Aug 2017, In : Angewandte Chemie (International Edition). 56, 34, p. 10132-10134 3 p.

Research output: Contribution to journalArticleScientificpeer-review

Nuclear stopping power of antiprotons

Nordlund, K., Sundholm, D., Pyykkö, P., Zambrano, D. M. & Djurabekova, F., 2017, In : Physical Review A. 96, 4, 15 p., 042717.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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2016

Is the chemistry of lawrencium peculiar?

Xu, W. & Pyykkö, P., 14 Jul 2016, In : Physical Chemistry Chemical Physics. 18, 26, p. 17351-17355 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
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2015

Ab initio MCDHF calculations of electron-nucleus interactions

Bieron, J., Fischer, C. F., Fritzsche, S., Gaigalas, G., Grant, I. P., Indelicato, P., Jonsson, P. & Pyykkö, P., May 2015, In : Physica Scripta. 90, 5, 13 p., 054011.

Research output: Contribution to journalArticleScientificpeer-review

Additive Covalent Radii for Single-, Double-, and Triple-Bonded Molecules and Tetrahedrally Bonded Crystals: A Summary

Pyykko, P., 19 Mar 2015, In : Journal of Physical Chemistry A. 119, 11, p. 2326-2337 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Is Octavalent Pu(VIII) Possible? Mapping the Plutonium Oxyfluoride Series PuOnF8-2n (n=0-4)

Huang, W., Pyykko, P. & Li, J., 7 Sep 2015, In : Inorganic Chemistry. 54, 17, p. 8825-8831 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Magically magnetic gadolinium

Pyykkö, P., Aug 2015, In : Nature Chemistry. 7, 8, p. 680-680 1 p.

Research output: Contribution to journalArticleScientific

On the Extreme Oxidation States of Iridium

Pyykkö, P. & Xu, W-H., 2015, In : Chemistry: A European Journal. 21, 26, p. 9468-9473 6 p.

Research output: Contribution to journalArticleScientificpeer-review

The Formal Oxidation States of Iridium Now Run from -III to plus IX

Pyykko, P. & Xu, W-H., 19 Jan 2015, In : Angewandte Chemie (International Edition). 54, 4, p. 1080-1081 2 p.

Research output: Contribution to journalArticleScientificpeer-review

2014

Preface: Relativistic Quantum Chemistry issue of Journal of Computer Chemistry, Japan

Pyykkö, P., Mar 2014, In : Journal of Computational Chemistry. 13, 1, p. A2-A3 2 p.

Research output: Contribution to journalArticleScientific

Structural and Photophysical Study on Heterobimetallic Complexes with d(8)-d(10) Interactions Supported by Carborane Ligands: Theoretical Analysis of the Emissive Behaviour

Crespo, O., Concepcion Gimeno, M., Laguna, A., Lehtonen, O., Ospino, I., Pyykkö, P. & Villacampa, M. D., 10 Mar 2014, In : Chemistry: A European Journal. 20, 11, p. 3120-3127 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2013

Aspects of bonding in small gold clusters

Xiong, X-G., Xu, W-H., Li, J. & Pyykkö, P., 15 Nov 2013, In : International Journal of Mass Spectrometry. 354-355, p. 15-18 4 p.

Research output: Contribution to journalArticleScientificpeer-review

The RTAM Electronic Bibliography, Version 17.0, on Relativistic Theory of Atoms and Molecules

Pyykkö, P., 5 Dec 2013, In : Journal of Computational Chemistry. 34, 31, p. 2667-2667 1 p.

Research output: Contribution to journalArticleScientificpeer-review

Unbridged Au(II)-Au(II) bonds are theoretically allowed

Xiong, X-G. & Pyykkö, P., 2013, In : Chemical Communications. 49, 21, p. 2103-2105 3 p.

Research output: Contribution to journalArticleScientificpeer-review

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2012

A new, centered 32-electron system: the predicted [U@Si-20](6-)-like isoelectronic series

Dognon, J-P., Clavaguera, C. & Pyykkö, P., 2012, In : Chemical Science. 3, 9, p. 2843-2848 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Hälsningsord vid Finska Vetenskaps-Societetens årshögtid den 27 april 2012

Pyykkö, P., 2012, In : Sphinx. p. 175-177 3 p.

Research output: Contribution to journalArticleGeneral public

Predicting new, simple inorganic species by quantum chemical calculations: some successes

Pyykkö, P., 2012, In : Physical Chemistry Chemical Physics. 14, 43, p. 14734-14742 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Rare-earth monocarbonyls MCO: comprehensive infrared observations and a transparent theoretical interpretation for M = Sc; Y; La-Lu

Xu, W., Jin, X., Chen, M., Pyykkö, P., Zhou, M. & Li, J., 2012, In : Chemical Science. 3, 5, p. 1548-1554 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Refitted tetrahedral covalent radii for solids

Pyykkö, P., 20 Jan 2012, In : Physical Review B, Condensed Matter and Materials Physics. 85, 2, p. 024115 7 p.

Research output: Contribution to journalArticleScientificpeer-review

2011

A suggested Periodic Table up to Z = 172, based on Dirac-Fock calculations on atoms and ions

Pyykkö, P., 2011, In : Physical Chemistry Chemical Physics. 13, 1, p. 161-168 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Aurophilic attractions between a closed-shell molecule and a gold cluster

Pyykkö, P., Xiong, X-G. & Li, J., 2011, In : Faraday Discussions. 152, p. 169-178 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Aurophilicity: The effect of the neutral ligand L on [{ClAuL}2] systems

Muniz, J., Wang, C. & Pyykkö, P., 2011, In : Chemistry: A European Journal. 17, 1, p. 368-377 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Hälsningsord vid Finska Vetenskaps-Societetens årshögtid den 29 april 2011

Pyykkö, P., 2011, In : Sphinx. 2010-2011, p. 203-205 3 p.

Research output: Contribution to journalArticleGeneral public

Relativity and the lead-acid battery

Ahuja, R., Blomqvist, A., Larsson, P., Pyykkö, P. & Zaleski-Ejgierd, P. A., 7 Jan 2011, In : Physical Review Letters. 106, p. 018301 4 p.

Research output: Contribution to journalArticleScientificpeer-review

Relativity and the mercury battery

Pyykkö, P. & Zaleski-Ejgierd, P. A., 2011, In : Physical Chemistry Chemical Physics. 13, p. 16510-16512 3 p.

Research output: Contribution to journalArticleScientificpeer-review

2010

Björn O. Roos

Pyykkö, P. & Sundholm, D., 29 Mar 2010, In : Hufvudstadsbladet.

Research output: Contribution to journalArticleGeneral public

Bonding trends in molecular compounds of lanthanides: The double-bonded carbene cations LnCH_2(+), Ln = Sc, Y, La-Lu

Roos, B. O. & Pyykkö, P., 2010, In : Chemistry: A European Journal. 16, 1, p. 270-275 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Chemical properties of the predicted 32-electron systems Pu@Sn_12 and Pu@Pb_12

Dognon, J-P., Clavaguera, C. & Pyykkö, P., 2010, In : Comptes Rendus. Chimie. 13, 6-7, p. 884-888 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Formulations of the closed-shell interactions in endohedral systems

Wang, C., Straka, M. & Pyykkö, P., 2010, In : Physical Chemistry Chemical Physics. 12, 23, p. 6187-6203 17 p.

Research output: Contribution to journalArticleScientificpeer-review

Hälsningsord vid Finska Vetenskaps-Societetens årshögtid den 29 april 2010

Translated title of the contribution: The Chairman's welcome speech, Finnish Society of Sciences and Letters, 29 April 2010Pyykkö, P., 2010, In : Sphinx. 2009-2010, p. 123-126 4 p.

Research output: Contribution to journalArticleGeneral public

Professor Björn O. Roos: Sveriges ledande beräkningskemist

Pyykkö, P. & Sundholm, D., 2010, In : Kemia - Kemi. 3, p. 52-52 1 p.

Research output: Contribution to journalArticleGeneral public

Theoretical study of H-2 splitting and storage by boron-nitrogen-based systems: a bimolecular case and some qualitative aspects

Pyykkö, P. & Wang, C., 2010, In : Physical Chemistry Chemical Physics. 12, 1, p. 149-155 7 p.

Research output: Contribution to journalArticleScientificpeer-review

WAu12(CO)(12)?

Johansson, M. P. & Pyykkö, P., 2010, In : Chemical Communications. 46, 21, p. 3762-3764 3 p.

Research output: Contribution to journalArticleScientificpeer-review

2009

A predicted organometallic series following a 32-electron principle: An@C (An=Th,Pa, U²,Pu)

Dognon, J-P., Clavaguera, C. & Pyykkö, P., 2009, In : Journal of the American Chemical Society. 131, 1, p. 238-243 6 p.

Research output: Contribution to journalArticleScientificpeer-review

AunHgm Clusters: Mercury Aurides, Gold Amalgams, or van der Waals Aggregates?

Zaleski-Ejgierd, P. & Pyykko, P., 2009, In : Journal of Physical Chemistry A. 113, 45, p. 12380-12385 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Bonding analysis for sterically uncongested simple aurocarbons CnAum1

Zaleski-Ejgierd, P. & Pyykko, P., 2009, In : Canadian Journal of Chemistry. 87, p. 798-801 4 p.

Research output: Contribution to journalArticleScientificpeer-review

Building on our achievements

Pyykkö, P. & Earis, P., 2009, In : Physical Chemistry Chemical Physics. 11, 1, p. 13-15 3 p.

Research output: Contribution to journalArticleGeneral public

Complete-active-space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine-structure constants of the gold atom

Bieron, J., Fischer, C. F., Indelicato, P., Jönsson, P. & Pyykkö, P., 2009, In : Physical Review A (Atomic, Molecular and Optical Physics). 79, 5, p. art. 052502

Research output: Contribution to journalArticleScientificpeer-review

Embedding transition-metal atoms in graphene: structure, bonding, and magnetism

Krasheninnikov, A., Lehtinen, P. O., Foster, A. S., Pyykkö, P. & Nieminen, R. M., 2009, In : Physical Review Letters. 102, 12, p. art. 126807

Research output: Contribution to journalArticleScientificpeer-review

Experimental and theoretical treatment of hydrogen splitting and storage in boron-nitrogen systems

Sumerin, V., Schulz, F., Nieger, M., Atsumi, M., Wang, C., Leskelä, M., Pyykkö, P., Repo, T. & Rieger, B., 2009, In : Journal of Organometallic Chemistry. 694, p. 2654-2660 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Knut Jacobus Sundman

Pyykkö, P., 2009, In : Sphinx. 2008-2009, p. 145-146

Research output: Contribution to journalArticleGeneral public

Kvanttikemistit kokoontuivat Suomessa

Pyykkö, P., 2009, In : Kemia - Kemi. 36, 6, p. 44

Research output: Contribution to journalArticleGeneral public

Long-range interactions between polar molecules and metallic surfaces: a comparison of classical and density functional theory based models

Fernandez-Torre, D., Kupiainen, O., Pyykkö, P. & Halonen, L., 2009, In : Chemical Physics Letters. 471, p. 239-243 5 p.

Research output: Contribution to journalArticleScientificpeer-review

Molecular Double-Bond Covalent Radii for Elements Li-E112

Pyykko, P. & Atsumi, M., 2009, In : Chemistry: A European Journal. 15, 46, p. 12770-12779 10 p.

Research output: Contribution to journalArticleScientificpeer-review