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Showing 1 to 12 of 96 entries
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Is Octavalent Pu(VIII) Possible? Mapping the Plutonium Oxyfluoride Series PuO(n)F(8-2n) (n = 0-4).

Inorganic chemistry

Huang W, Pyykkö P, Li J.
PMID: 26309065
Inorg Chem. 2015 Sep 08;54(17):8825-31. doi: 10.1021/acs.inorgchem.5b01540. Epub 2015 Aug 26.

While the oxidation state Pu(VIII) is shown to be less stable than Pu(V) in the PuO4 molecule, it is not clear if the more electronegative fluorine can help to stabilize Pu(VIII). Our calculations on PuO(n)F(8-2n) (n = 0-4) molecules...

Magically magnetic gadolinium.

Nature chemistry

Pyykkö P.
PMID: 26201746
Nat Chem. 2015 Aug;7(8):680. doi: 10.1038/nchem.2287.

No abstract available.

Disease Profiling for Computerized Peer Support of Ménière's Disease.

JMIR rehabilitation and assistive technologies

Rasku J, Pyykkö I, Levo H, Kentala E, Manchaiah V.
PMID: 28582248
JMIR Rehabil Assist Technol. 2015 Sep 03;2(2):e9. doi: 10.2196/rehab.4109.

BACKGROUND: Peer support is an emerging form of person-driven active health care. Chronic conditions such as Ménière's disease (a disorder of the inner ear) need continuing rehabilitation and support that is beyond the scope of routine clinical medical practice....

Biocompatibility of Liposome Nanocarriers in the Rat Inner Ear After Intratympanic Administration.

Nanoscale research letters

Zou J, Feng H, Sood R, Kinnunen PKJ, Pyykko I.
PMID: 28549377
Nanoscale Res Lett. 2017 Dec;12(1):372. doi: 10.1186/s11671-017-2142-5. Epub 2017 May 25.

Liposome nanocarriers (LPNs) are potentially the future of inner ear therapy due to their high drug loading capacity and efficient uptake in the inner ear after a minimally invasive intratympanic administration. However, information on the biocompatibility of LPNs in...

Impact evaluation and association with EuroQol 5D health-related utility values in Ménière's disease.

SpringerPlus

Pyykkő I, Manchaiah V, Levo H, Kentala E.
PMID: 26636005
Springerplus. 2015 Nov 24;4:717. doi: 10.1186/s40064-015-1527-0. eCollection 2015.

The study was aimed at evaluating the validity of impact measures among patients with Ménière's disease (MD) with outcome variables of EuroQol generic health-related quality of life (HRQoL) measures (i.e., EQ-5D) by using Visual Analogue Scale (VAS) and EQ-5D...

Is the chemistry of lawrencium peculiar?.

Physical chemistry chemical physics : PCCP

Xu WH, Pyykkö P.
PMID: 27314425
Phys Chem Chem Phys. 2016 Jul 14;18(26):17351-5. doi: 10.1039/c6cp02706g. Epub 2016 Jun 17.

It is explicitly verified that the atomic 7p(1) ground-state configuration of Lr originates from relativistic effects. Without relativity one has 6d(1). All three ionization potentials IP1-3 of Lr resemble those of Lu. Simple model studies on mono- and trihydrides,...

Ab initio study of bonding trends among cyanamidophosphates (.

Chemistry (Weinheim an der Bergstrasse, Germany)

Pyykko P.
PMID: 10926219
Chemistry. 2000 Jun 16;6(12):2145-51. doi: 10.1002/1521-3765(20000616)6:12<2145::aid-chem2145>3.0.co;2-8.

Ab initio calculations on the experimentally known anions [POn(NCN)4-n]3- are used to show that intramolecular forces are sufficient to determine their existence and structure. Structures are predicted for the analogous cyanamidosulphates and perchlorates. If one of the oxygens of...

Nuclear quadrupole moments of bismuth.

Physical review letters

Bieroń J, Pyykkö P.
PMID: 11580584
Phys Rev Lett. 2001 Sep 24;87(13):133003. doi: 10.1103/PhysRevLett.87.133003. Epub 2001 Sep 11.

Multiconfiguration Dirac-Fock models have been employed to compute the electric field gradient in the ground state of the neutral bismuth atom. Combined with the experimental electric quadrupole hyperfine interaction constant, one obtains for (209)Bi the nuclear quadrupole moment Q...

HgH4 and HgH6: further candidates for high-valent mercury compounds.

Chemical communications (Cambridge, England)

Pyykkö P, Straka M, Patzschke M.
PMID: 12196970
Chem Commun (Camb). 2002 Aug 21;(16):1728-9. doi: 10.1039/b203585e.

Mercury tetrahydride (D4h) is calculated to have similar bond lengths and vibrational frequencies as the already known HgH2 and to lie energetically 200 kJ mol-1 above HgH2 + H2, in a local well, about 40 kJ mol-1 below a...

How many hydrogen atoms can be bound to a metal? Predicted MH12 species.

Journal of the American Chemical Society

Gagliardi L, Pyykkö P.
PMID: 15547983
J Am Chem Soc. 2004 Nov 24;126(46):15014-5. doi: 10.1021/ja045991l.

Quantum chemical calculations predict the existence of new molecular species with general formula MH12, where M is a group 6 atom. The previous MHn species had n values up to 9. The new systems with n = 12 would...

Harvest index in northern temperate cultivated conifers.

Tree physiology

Pulkkinen P, Pöykkö T, Tigerstedt PM, Velling P.
PMID: 14973001
Tree Physiol. 1989 Mar;5(1):83-98. doi: 10.1093/treephys/5.1.83.

Harvest index is defined and its relationship with primary production, biomass partitioning and yield components in forest trees examined. As stand density has been found to have a major effect on harvest index, it is concluded that further development...

Towards a 32-electron principle: Pu@Pb12 and related systems.

Angewandte Chemie (International ed. in English)

Dognon JP, Clavaguéra C, Pyykkö P.
PMID: 17225223
Angew Chem Int Ed Engl. 2007;46(9):1427-30. doi: 10.1002/anie.200604198.

No abstract available.

Showing 1 to 12 of 96 entries