Spiritual nursing education programme for nursing students in Korea: a systematic review and meta-analysis.

Purpose: This study conducts a systematic review and meta-analysis to understand the characteristics and contents of studies on spiritual nursing education programmes and their effects.

Methods: The literature search included five databases (RISS, KISS, DBpia, Science ON, and KmBase) published in South Korea until September 30, 2021. Nine studies were included in the final review, with six for the meta-analysis using the RevMan 5.

Health and medical experience of migrant workers: qualitative meta-synthesis.

Background: Migrant workers in Korea are contributing to economic development by resolving labour shortages due to the increase in the ageing population, and they have become necessary and important in the Korean economy. However, long working hours, poor working conditions, and cultural differences can cause migrant workers to experience disadvantages in using health and medical services. Therefore, this study aimed to understand and analyse the health and medical service experience of migrant workers in Korea by reviewing previous studies in order to improve their health and access to medical services.

Health-related quality of life of migrant workers: a systematic literature review.

Background: Currently, the number of migrant workers residing in Korea is continuously increasing, which is exacerbating the workforce shortage in its society. Migrant workers experience health problems or stress due to rapid environmental changes, consequently impairing their quality of life (QoL). Accordingly, this literature review aimed to prepare basic data by identifying factors related to the health-related quality of life (HRQoL) of migrant workers in Korea.

The Effect of Role Conflict and Professional Autonomy on the Role Performance of Patient Safety Coordinators in Small and Medium-Sized Hospitals in Korea.

This study aimed to investigate the effects of role conflict and professional autonomy on the role performance of patient safety coordinators in small and medium-sized hospitals in Korea. The participants in this cross-sectional study were 121 patient safety coordinators in general hospitals or hospitals with more than 100−300 beds. Data were collected through an online survey for about three weeks in February 2022.

Fast and slow proton transfer in ice: the role of the quasi-liquid layer and hydrogen-bond network.

The proton mobility in ice is studied through molecular dynamics simulations carried out with a newly developed ab initio-based reactive force field, aMS-EVB3/ice. The analysis of both structural and dynamical properties of protonated ice as a function of temperature indicates that the mobility of excess protons at the surface is largely suppressed, with protons becoming essentially immobile at temperatures below 200 K. In contrast, fast proton transfer/transport can exist in bulk ice Ih at low temperature through connected regions of the proton-disordered hydrogen-bond network.

Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems.

The difference-based adaptive solvation quantum mechanics/molecular mechanics (adQM/MM) method (J. Chem. Theory Comput.

Direct dynamics simulation of dioxetane formation and decomposition via the singlet ·O-O-CH2-CH2· biradical: non-RRKM dynamics.

Electronic structure calculations and direct chemical dynamics simulations are used to study the formation and decomposition of dioxetane on its ground state singlet potential energy surface. The stationary points for (1)O(2) + C(2)H(4), the singlet ·O-O-CH(2)-CH(2)· biradical, the transition state (TS) connecting this biradical with dioxetane, and the two transition states and gauche ·O-CH(2)-CH(2)-O· biradical connecting dioxetane with the formaldehyde product molecules are investigated at different levels of electronic structure theory including UB3LYP, UMP2, MRMP2, and CASSCF and a range of basis sets. The UB3LYP/6-31G∗ method was found to give representative energies for the reactive system and was used as a model for the simulations.

A refined MS-EVB model for proton transport in aqueous environments.

In order to improve the description of proton mobility in aqueous environments, a revised multistate empirical valence bond model (aMS-EVB3) is developed. The new aMS-EVB3 model is built upon an anharmonic water force field (aSPC/Fw) in which the OH bond potential is described through a quartic approximation to a Morse potential. First, it is shown that the aSPC/Fw anharmonic water model provides an accurate description of water at ambient conditions and reproduces the available experimental data for several structural, thermodynamic, and dynamical properties.

Algorithms for sampling a quantum microcanonical ensemble of harmonic oscillators at potential minima and conical intersections.

Algorithms are presented for sampling quantum microcanonical ensembles for a potential energy minimum and for the conical intersection at the minimum energy crossing point of two coupled electronic states. These ensembles may be used to initialize trajectories for chemical dynamics simulations. The unimolecular dynamics of a microcanonical ensemble about a potential energy minimum may be compared with the dynamics predicted by quantum Rice-Ramsperger-Kassel-Marcus (RRKM) theory.

Singlet and triplet potential surfaces for the O2+C2H4 reaction.

Electronic structure calculations at the CASSCF and UB3LYP levels of theory with the aug-cc-pVDZ basis set were used to characterize structures, vibrational frequencies, and energies for stationary points on the ground state triplet and singlet O(2)+C(2)H(4) potential energy surfaces (PESs). Spin-orbit couplings between the PESs were calculated using state averaged CASSCF wave functions. More accurate energies were obtained for the CASSCF structures with the MRMP2/aug-cc-pVDZ method.

O((3)P) + C(2)H(4) potential energy surface: study at the multireference level.

The O((3)P) + C(2)H(4) reaction provides a crucial, initial understanding of hydrocarbon combustion. In this work, the lowest-lying triplet potential energy surface is extensively explored at the multiconfiguration self-consistent field (MCSCF) and MRMP2 levels with a preliminary surface crossing investigation; and in cases that additional dynamical correlation is necessary, MR-AQCC stationary points are also determined. In particular, a careful determination of the active space along the intrinsic reaction pathway is necessary; and in some cases, more than one active space must be explored for computational feasibility.

Importance of shattering fragmentation in the surface-induced dissociation of protonated octaglycine.

A QM + MM direct chemical dynamics simulation was performed to study collisions of protonated octaglycine, gly(8)-H(+), with the diamond {111} surface at an initial collision energy E(i) of 100 eV and incident angle theta(i) of 0 degrees and 45 degrees. The semiempirical model AM1 was used for the gly(8)-H(+) intramolecular potential, so that its fragmentation could be studied. Shattering dominates gly(8)-H(+) fragmentation at theta(i) = 0 degrees, with 78% of the ions dissociating in this way.

Use of a single trajectory to study product energy partitioning in unimolecular dissociation: mass effects for halogenated alkanes.

A single trajectory (ST) direct dynamics approach is compared with quasiclassical trajectory (QCT) direct dynamics calculations for determining product energy partitioning in unimolecular dissociation. Three comparisons are made by simulating C(2)H(5)F-->HF + C(2)H(4) product energy partitioning for the MP26-31G(*) and MP26-311 + + G(**) potential energy surfaces (PESs) and using the MP26-31G(*) PES for C(2)H(5)F dissociation as a model to simulate CHCl(2)CCl(3)-->HCl + C(2)Cl(4) dissociation and its product energy partitioning. The trajectories are initiated at the transition state with fixed energy in reaction-coordinate translation E(t) (double dagger).