Semiempirical Study of Intramolecular Hyclrogen Bond in 6-Hydroxy-2-formylfulvene and 9-Hydroxyphenalenone

It is shown that semiempirical MINDO/3, MNDO and AMI methods are very useful in discussing intramolecular hydrogen . bonding in sizeable systems. The present results indicate that intramolecular H-bonds in 6-hydroxy-2-formylfulvene and 9-hydroxyphenalenone are asymmetric, in fuU accordance with ESCA observations and DQCC measurements. The former molecule should exhibit a stronger H-bond. On the other hand, the barrier height for proton tunnelling is higher in the latter compound. Relative stabilities of various species are interpreted by employing the energy partitioning technique

A Semiempirical Study of Intramolecular Hydrogen Bonding in Some Naphthazarin Derivatives

Structural and energetic properties of some derivatives of naphthazarin are considered by the semiempirical AMI method. It is shown that these systems, possessing intramolecular hydrogen bonds, are qualitatively well described at the AMI level of theory. This conclusion is supported by a good qualitative agreement with available experimental data. The strength of the intramolecular hydrogen bond is briefly discussed. It appears that their energies are roughly additive

Cross-national variations in reported discrimination among people treated for major depression worldwide: The ASPEN/INDIGO international study

Background: No study has so far explored differences in discrimination reported by people with major depressive disorder (MDD) across countries and cultures. Aims: To (a) compare reported discrimination across different countries, and (b) explore the relative weight of individual and contextual factors in explaining levels of reported discrimination in people with MDD. Method: Cross-sectional multisite international survey (34 countries worldwide) of 1082 people with MDD. Experienced and anticipated discrimination were assessed by the Discrimination and Stigma Scale (DISC). Countries were classified according to their rating on the Human Development Index (HDI). Multilevel negative binomial and Poisson models were used. Results: People living in 'very high HDI' countries reported higher discrimination than those in 'medium/low HDI' countries. Variation in reported discrimination across countries was only partially explained by individual-level variables. The contribution of country-level variables was significant for anticipated discrimination only. Conclusions: Contextual factors play an important role in anticipated discrimination. Country-specific interventions should be implemented to prevent discrimination towards people with MDD

A Semiempirical Study of Intramolecular Hydrogen Bonding in Some Naphthazarin Derivatives

Structural and energetic properties of some derivatives of naphthazarin are considered by the semiempirical AMI method. It is shown that these systems, possessing intramolecular hydrogen bonds, are qualitatively well described at the AMI level of theory. This conclusion is supported by a good qualitative agreement with available experimental data. The strength of the intramolecular hydrogen bond is briefly discussed. It appears that their energies are roughly additive

zur Erlangung des Doktorgrades des Fachbereichs Physik der Universität Dortmund

4.1 Description of the laser system and the diagnostic techniques........... 2