Search results for "atomit"

Soil development on sediments and evaporites of the Messinian crisis

2020

Abstract Vast areas in the Mediterranean are characterised by evaporite deposits of the Messinian crises (c. 6–5.3 Ma BP). During this period, large deposits were built up in shallow lagoon-like systems and are now found in southern Italy, Albania, Cyprus and Turkey. So far, soil formation on evaporites has been studied predominantly in subarid to arid environments. Although the formation of soils has received new significance, little is known about the evolutional trajectories on evaporites of the Mediterranean. We therefore studied soil formation in the Caltanissetta basin (Sicily) where evaporites are most widespread. The lithologies included the sequence: marine clay deposits, laminated…

Fermionic superfluidity in optical lattices

2008

Core hole screening and decay rates of double core ionized first row hydrides.

2013

Because of the high intensity, X-ray free electron lasers allow one to create and probe double core ionized states in molecules. The decay of these multiple core ionized states crucially determines the evolution of radiation damage in single molecule diffractive imaging experiments. Here we have studied the Auger decay in hydrides of first row elements after single and double core ionization by quantum mechanical ab initio calculations. In our approach the continuum wave function of the emitted Auger electron is expanded into spherical harmonics on a radial grid. The obtained decay rates of double K-shell vacancies were found to be systematically larger than those for the respective single …

How many gold atoms make gold metal?

2015

It is well known that a piece of gold is an excellent metal: it conducts heat and electricity, it is malleable to work out for jewellery or thin coatings, and it has the characteristic golden colour. How do these everyday properties – familiar from our macroscopic world – change when a nanometre-size chunk of gold contains only 100, 200 or 300 atoms? nonPeerReviewed

Dioxidomolybdenum(VI) and -tungsten(VI) complexes with tripodal amino bisphenolate ligands as epoxidation and oxo-transfer catalysts

2017

The molybdenum(VI) and tungsten(VI) complexes [MO2(L)] (M = Mo (1), W (2), H2L = bis(2-hydroxy-3,5-di-tert-butybenzyl)morpholinylethylamine) were synthesized and the complexes were used to catalyze oxotransfer reactions, viz. sulfoxidation, epoxidation and benzoin oxidation. For comparison, the same reactions were catalyzed using the known complexes [MO2(L′)] (M = Mo (3), W (4), H2L′ = bis(2-hydroxy-3,5-di-tert-butybenzyl)ethanolamine) and [MO2(L″)] (M = Mo (5), W (6), H2L″ = bis(2-hydroxy-3,5-di-tert-butybenzyl)diethyleneglycolamine). The oxo atom transfer activity between DMSO and benzoin at 120 °C was identical for all studied catalysts. Reasonable catalytic activity was observed for sul…

Elektroniset aaltopaketit atomeissa ja pienissä molekyyleissä

2005

Theoretical studies of artificial atoms and lattices

2008

JYFLTRAP -laitteistolla mitattujen atomimassojen vertailu atomimassamalleihin

2011

Jyväskylän yliopiston IGISOL-laitteiston JYFLTRAP Penningin loukulla on mitattu atomimassoja suurella tarkkuudella. Atomimassoja tarvitaan, jotta voitaisiin esimerkiksi tutkia atomin ytimen rakennetta ja sidosenergioita. Kaikkia ytimiä ei kuitenkaan ole mahdollista saada mitattua nykytekniikoilla, vaan tarvitaan massaennusteita. Tässä pro gradu -työssä vertailtiin teoreettisista atomimassaennusteista ja Atomimassaevaluaatiosta (AME2003) saatuja massojen arvoja JYFLTRAP:lla mitattuihin massoihin. Työtä varten laskettiin kokeellisten ja teoreettisten massavajeiden erotukset, kahden neutronin sidosenergiat, teoreettisten ja kokeellisten S2n-arvojen erotukset ja neutronin kuoriaukkoenergiat neu…

Theoretical and experimental studies of some main group compounds : from closed shell interactions to singlet diradicals and stable radicals

2012

Acquiring knowledge of different interactions within and between molecules is a fascinating undertaking as it not only deepens our understanding of chemical bonding but also offers insight into electronic structures, molecular properties and the connections between these two. This dissertation combines together three main group chemistry related topics within the aforementioned theme. Research presented in the first third of this dissertation describes wave function and density functional theory studies of weak inter- and intramolecular interactions in pnictogen-based dimers X3Pn···PnX3 (Pn = N-Bi; X = F-I), dithallenes RTlTlR (R = H, Me, tBu, Ph) and octachalcogen dications Ch82+ (Ch = S, …

Homo- and heterometallic metal atomic strings

2016

Pro gradu -tutkielmani keskittyy metallofiiliseen vuorovaikutukseen ylipäätänsä ja etenkin metallofiiliseen vuorovaikutukseen metalliatomiketjuissa. Metallopolymeerien ja niiden erään alaluokan, laajennettujen metalliatomiketjujen (EMAC), määritelmät esitellään sekä niiden käyttökohteista ja ominaisuuksista on esimerkkejä. Metallofiilinen vuorovaikutus metalliatomien attraktiivista vuorovaikutusta, jossa metallien elektronikuori on täynnä (s2 tai d10) tai käyttäytyy, kuten se olisi täynnä (d8). Se on voimakkuudeltaan korkeintaan vetysidoksen luokkaa. Tätä metallofiilistä vuorovaikutusta esiintyy myös samanmerkkisesti varattujen metalli-ionien välillä. Metallofiilinen vuorovaikutus koostuu p…