Tunneling splittings of vibrationally excited states using general instanton paths

A multidimensional semiclassical method for calculating tunneling splittings in vibrationally excited states of molecules using Cartesian coordinates is developed. It is an extension of the theory by Mil'nikov and Nakamura [$\textit{ J. Chem. Phys.}$ $\textbf{122}$, $124311$ $(2005)$] to asymmetric paths that are necessary for calculating tunneling splitting patterns in multi-well systems, such as water clusters. Additionally, new terms are introduced in the description of the semiclassical wavefunction that drastically improve the splitting estimates for certain systems. The method is based on the instanton theory and builds the semiclassical wavefunction of the vibrationally excited states from the ground-state instanton wavefunction along the minimum action path and its harmonic neighborhood. The splittings of excited states are thus obtained at a negligible added numerical effort. The cost is concentrated, as for the ground-state splittings, in the instanton path optimization and the hessian evaluation along the path. The method can thus be applied without modification to many mid-sized molecules in full dimensionality and in combination with on-the-fly evaluation of electronic potentials. The tests were performed on several model potentials and on the water dimer.Comment: The following article has been submitted to Journal of Chemical Physics. After it is published, it will be found at https://aip.scitation.org/journal/jc

EUens: rast novog identiteta potaknut društvenim medijima

The goal of this study is twofold: firstly, we want to explore specific identity that has been emerging as a consequence of many EU-related changes (e.g. development of transport, ICT, increasing number of different EU programs and new EU policies); secondly, we want to test the role of social media in building this new identity that we call EUens (European Union citizens). Conducting in-depth interviews with 25 EUens we find that some issues which are commonly seen as important factors in European identity construction, such as class and political attitudes, do not play any significant role in constructing European identity for members of our group. Secondly, our analysis suggests that social media have potential of becoming important driver of European identity.Cilj je ove studije dvostruk: prvo, želimo istražiti poseban identitet koji se pojavio kao posljedica mnogih promjena povezanih s Europskom unijom (mobilnost, IKT, rastući broj različitih EU programa i novih EU politika); drugo, želimo testirati ulogu društvenih medija u građenju ovog novog identiteta koji mi nazivamo EUens. Provodeći dubinske intervjue s 25 EUensa, pronašli smo kako pojedine kategorije koje su obično smatrane važnim faktorima u građenju europskog identiteta, kao što su klasa i politički stavovi, ne igraju važnu ulogu u građenju europskog identiteta među pripadnicima naše grupe. Drugo, rezultati našeg istraživanja pokazuju kako društveni mediji imaju potencijal da postanu važan pokretač europskog identiteta

Carriage of goods by sea - Liability of the ship operator - Assignment in favour of the cargo underwriters : [case review]

Brodar je odgovoran za pravilno slaganje tereta. Kod iskrcaja se najkasnije iskrcava oštećeni teret. Očevidni propust u cesiji ne čini samu cesiju nevaljanom. Prvostupanjski sud ne mora striktno postupiti po uputi drugostupanjskog suda ako iz provedenog dokaza jasno proizlazi, i bez provođenja uputa drugostupanjskog suda, da su relevantne činjenice nesporno dokazane.In this case the cargo was improperly loaded and stored on a ship and therefore a part of it was damaged during carriage. The ship operator is liable for improper loading of the cargo as well as for improper order of unloading of the cargo. Namely, during unloading the rotted and/or damaged cargo has been unloaded last. The cargo underwriters have indemnified the cargo receiver and on the basis of the written assignment claim to be reimbursed by the ship operator who objected because the order firm\u27s name was stated in the assignment document. The Court rejected the objection with an explanation that it was only an obvious error scribendi. In this case one of the issues was also the question as to the cause of the damage and the Court of the second instance ordered an opinion from an expert for transport. The fact that the Court of the first instance did not appoint such a type of expert as indicated by the Court of the second instance does not render the decision null and void because the Court of the first instance is free not to follow fully the orders of the higher Court if all other evidence points to the conclusion that all material circumstances are properly established