An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroism.

The Born-Oppenheimer framework stipulates that chemistry and physics occur on potential energy surfaces VBO(X) parameterized by a nuclear coordinate X, which are built by diagonalizing a BO Hamiltonian ĤBO(X). However, such a framework cannot recover many measurable chemical and physical features, including vibrational circular dichroism spectra. In this article, we show that a phase-space electronic Hamiltonian ĤPS(X,P), parameterized by both nuclear position X and momentum P, with a similar computational cost as solving ĤBO(X), can recover not just experimental vibrational circular dichroism signals but also a meaningful electronic current density that explains the features of the vibrational circular dichroism rotational strengths.

Evaluation of the Rostral Inferior Alveolar Nerve Block via the Mental Foramen in Equids: In Vivo Efficacy Testing.

The use of proper sedative and regional anesthetic protocols is essential when performing equine dental surgical procedures under standing sedation. The efficacy of the rostral inferior alveolar nerve block via the mental foramen has not been previously studied. Aims of this study included determining the efficacy of the block, investigating whether any region (labial mucosa, alveolar mucosa, or teeth) was more reliably anesthetized, and if differences in efficacy existed between bilateral and unilateral blocks.

A Phase-Space Electronic Hamiltonian For Vibrational Circular Dichroism.

We show empirically that a phase-space non-Born-Oppenheimer electronic Hamiltonian approach to quantum chemistry (where the electronic Hamiltonian is parametrized by both nuclear position and momentum, (,)) is both a practical and accurate means to recover vibrational circular dichroism spectra. We further hypothesize that such a phase-space approach may lead to very new dynamical physics beyond spectroscopic circular dichroism, with potential implications for understanding chiral induced spin selectivity (CISS), noting that classical phase-space approaches conserve the total nuclear plus electronic momentum, whereas classical Born-Oppenheimer approaches do not (they conserve only the nuclear momentum).

"Pioneers, yes. We all should think that way" Improving Papua New Guinea Cancer Nurses Education through an International Partnership.

Objectives: First, to understand Papua New Guinea (PNG) oncology nursing issues perceived through the nurses' lens of unmet supportive care needs of people affected by cancer and to identify nurses' self-perceived educational priorities in cancer care. Second, to evaluate the tailored bidirectional learning and knowledge transfer among the participants of the Australia Capital Territory Health and PNG Oncology Nursing Development Program hosted in Australia in June 2023.

Methods: A qualitative descriptive study was conducted.