Ab initio Calculation of Magnetic Shielding and Susceptibility. I. Molecular Integrals over Gauge Invariant Gaussian Orbitals.

The analytical solutions· for the integrals needed in the SCF computation of magnetic shielding and susceptibility with gauge invariant Gaurssian atoiniC functions . are \u27described. All the integrals can be expressed in terms of known functions

ESR Parameters of the BF2 Radical

Recently Nelson and Gordy1 measured ESR parameters (g-factor, a) of the BF 2 radical. The authors proposed the geometry of the radical and from the analysis of the hyperfine structure deduced the spin densities on 10B, 11B and F

Ab initio Calculation of Magnetic Shielding and Susceptibility. I. Molecular Integrals over Gauge Invariant Gaussian Orbitals.

The analytical solutions· for the integrals needed in the SCF computation of magnetic shielding and susceptibility with gauge invariant Gaurssian atoiniC functions . are \u27described. All the integrals can be expressed in terms of known functions

A Calculation of the ESR Parameters of the Hydrogen Bonded Complex Radical (H2NO ... HF)

The isotropic constant (a) and the dipolar tensor (B) have been calculated for the radical H2NO bonded to HF. The semiempirical SCF (INDO) method has been used to describe the electronic configuration of the complex radical H2NO ... HF. It is suggested that a and B of the proton from HF are amenable to experimental verification

A Calculation of the ESR Parameters of the Hydrogen Bonded Complex Radical (H2NO ... HF)

The isotropic constant (a) and the dipolar tensor (B) have been calculated for the radical H2NO bonded to HF. The semiempirical SCF (INDO) method has been used to describe the electronic configuration of the complex radical H2NO ... HF. It is suggested that a and B of the proton from HF are amenable to experimental verification

Calculation of Collective Modes in rt-electron Systems with RPA Method

The question of the existence of collective modes in molecular systems is currently attracting much attention both from the theoretical1 and experimental1• 2 point of view. In this study we used Random-Phase-Approximation~ to calculate the transition energies and intensities of three rt-electron systems: benzene, naphthalene and 1,3,5,7,9-decapentaene. Although it is an oversimplification in the framework of RPA the collective modes are defined as the modes the intensities of which are greatly enhanced in comparison with single transitions

Serbo-Croatian is developing stem-based prosody. Why so?

Evidence is presented that Serbo-Croatian, in contrast to other Slavic languages with lexical prosody, is developing a prosodic system in which stressed non-stem material is avoided and surface stress is becoming a property of the word stem. Five case studies are shown in which stress is moving from non-stem material to stems. We analyse the general move towards stem-stressed prosody as the final step in a chain of language changes initiated by the Neo-Štokavian retractions, which were automatic and contrast-preserving, but led to a massive removal of stress from inflectional endings. We discuss the general reasons behind this language change in terms of markedness and, more specifically, the constraints proposed within Optimality Theory. We propose an analysis of the change under consideration in terms of a promotion of the markedness constraint StemStress, which requires stems to be stressed independently of lexical prominence

Do children use language structure to discover the recursive rules of counting?

We test the hypothesis that children acquire knowledge of the successor function — a foundational principle stating that every natural number n has a successor n + 1 — by learning the productive linguistic rules that govern verbal counting. Previous studies report that speakers of languages with less complex count list morphology have greater counting and mathematical knowledge at earlier ages in comparison to speakers of more complex languages (e.g., Miller & Stigler, 1987). Here, we tested whether differences in count list transparency affected children’s acquisition of the successor function in three languages with relatively transparent count lists (Cantonese, Slovenian, and English) and two languages with relatively opaque count lists (Hindi and Gujarati). We measured 3.5- to 6.5-year-old children’s mastery of their count list’s recursive structure with two tasks assessing productive counting, which we then related to a measure of successor function knowledge. While the more opaque languages were associated with lower counting proficiency and successor function task performance in comparison to the more transparent languages, a unique within-language analytic approach revealed a robust relationship between measures of productive counting and successor knowledge in almost every language. We conclude that learning productive rules of counting is a critical step in acquiring knowledge of recursive successor function across languages, and that the timeline for this learning varies as a function of count list transparency

Serbo-Croatian is developing stem-based prosody. Why so?

Evidence is presented that Serbo-Croatian, in contrast to other Slavic languages with lexical prosody, is developing a prosodic system in which stressed non-stem material is avoided and surface stress is becoming a property of the word stem. Five case studies are shown in which stress is moving from non-stem material to stems. We analyse the general move towards stem-stressed prosody as the final step in a chain of language changes initiated by the Neo-Štokavian retractions, which were automatic and contrast-preserving, but led to a massive removal of stress from inflectional endings. We discuss the general reasons behind this language change in terms of markedness and, more specifically, the constraints proposed within Optimality Theory. We propose an analysis of the change under consideration in terms of a promotion of the markedness constraint StemStress, which requires stems to be stressed independently of lexical prominence