We present a hybrid Time-Dependent Density Functional /Molecular Mechanics (TDDFT/MM) simulation study on the optical properties of aminocoumarins in gas phase and solution. As solvation is described through a molecular approach, the effects due to the inhomogeneities of the electric field of the solvent molecules are fully included. We focus on the ground state and first excited singlet state ...

In this paper we discuss tests for residual cross section dependence in nonlinear panel data models. The tests are based on average pair-wise residual correlation coefficients. In nonlinear models, the definition of the residual is ambiguous and we consider two approaches: deviations of the observed dependent variable from its expected value and generalized residuals. We show the asymptotic con...

In this paper we combine recent advances in marginal modelling for contingency tables with the notion of copula to formulate a class of models for describing how the joint distribution of a set of ordinal response variables depends on exogenous regressors. We derive the main properties of a marginal parameterization, the global interaction copula, whose nature is essentially non parametric, and...

We explore the effects of income and, additionally education on the income, self-reported health and survival of people aged sixty-five and over in order to identify benefits resulting from education which are omitted in the conventional analysis with its focus on labour income excluding employer contributions. We find that well educated people enjoy substantially higher incomes and longer heal...

In this paper, we model the elderly’s choice among health plans using data from a 1988 study of the Minneapolis—St. Paul Medicare health plan market. We show how attitudinal data can be combined with revealed preference data to provide more reliable estimates of consumers’ preferences for and perceptions of the attributes of choice alternatives. We develop an extended heterogeneous logit model ...

Recent research interest in phytochemicals has consistently driven the efforts in the metabolic engineering field toward microbial production of various carotenoids. In spite of systematic studies, the possibility of using C30 carotenoids as biologically functional compounds has not been explored thus far. Here, we generated 13 novel structures of C30 carotenoids and one C35 carotenoid, includi...

We investigate the relationships between gun ownership and murders, reported rapes, and robberies. We proxy gun ownership by the number of subscriptions to the gun magazine Handguns Magazine and accommodate the count nature of our data by analyzing them with a multivariate Poisson-lognormal model. For most of our analyses, we find that the correlation between today’s number of guns and future c...

Qualitative business survey data are used widely to provide indicators of economic activity ahead of the publication of official data. Traditional indicators exploit only aggregate survey information, namely the proportions of respondents who report “up” and “down”. This paper examines disaggregate or firm-level survey responses. It considers how the responses of the individual firms should be ...

If migrants return to their origin countries, two questions arise which are of immediate economic interest for both immigration and emigration country: what determines their optimal migration duration, and what are the activities migrants choose after a return. Little research has been devoted to these two issues. This paper utilises a unique survey data set which records activities of returned...