A stochastic search of the potential energy surface for the formic acid dimers results in 21 well-defined minima. A number of structures are reported here for the first time, others have already been experimentally detected or computationally predicted. Four types of different hydrogen bonds (HBs) are at play stabilizing the clusters: primary C=O⋯ H-O and H-O⋯ H-O and secondary C=O⋯ H-C and H-O⋯ H-C HBs corresponding to well-characterized bonding paths are identified. A novel C=O⋯ C stabilizing interaction is also reported. The double proton transfer reaction is calculated to occur in a synchronous fashion, with an energy barrier smaller than the energy needed to break up the dimers.

Objective: To assess experience, physical infrastructure, and capabilities of high-level isolation units (HLIUs) planning to participate in a 2018 global HLIU workshop hosted by the US National Emerging Special Pathogens Training and Education Center (NETEC). Design: An electronic survey elicited information on general HLIU organization, operating costs, staffing models, and infection control protocols of select global units. Setting and participants: The survey was distributed to site representatives of 22 HLIUs located in the United States, Europe, and Asia; 19 (86%) responded. Methods: Data were coded and analyzed using descriptive statistics. Results: The mean annual reported budget for the 19 responding units was US$484,615. Most (89%) had treated a suspected or confirmed case of a high-consequence infectious disease. Reported composition of trained teams included a broad range of clinical and nonclinical roles. The mean number of HLIU beds was 6.37 (median, 4; range, 2–20) for adults and 4.23 (median, 2; range, 1–10) for children; however, capacity was dependent on pathogen. Conclusions: Responding HLIUs represent some of the most experienced HLIUs in the world. Variation in reported unit infrastructure, capabilities, and procedures demonstrate the variety of HLIU approaches. A number of technical questions unique to HLIUs remain unanswered related to physical design, infection prevention and control procedures, and staffing and training. These key areas represent potential focal points for future evidence and practice guidelines. These data are important considerations for hospitals considering the design and development of HLIUs, and there is a need for continued global HLIU collaboration to define best practices.

) . * Autor a quien debe dirigirse la correspondencia.Recibido May. 17, 2017; Aceptado Jul. 20, 2017; Versión final Oct. 25, 2017, Publicado Feb. 2018 Resumen El presente artículo estudia la manera como el conocimiento puede ser gestionado dentro de las organizaciones para promover la generación de ideas nuevas y útiles. El objetivo del artículo es evidenciar las prácticas concretas de gestión del conocimiento que tienen incidencia sobre la creatividad organizacional. En lo metodológico se utilizaron ecuaciones estructurales por el método mínimos cuadrados parciales y el análisis bootstrap-percentil para probar la existencia de la mediación en una muestra de 160 empresas. Se encontró que las prácticas de aprendizaje continuo y la gestión de las competencias individuales de los empleados, tienen incidencia significativa sobre la creatividad, considerada una fuente de ventaja competitiva y un elemento indispensable para la supervivencia de las organizaciones. Por lo tanto, se reconoce que la puesta en marcha de prácticas de gestión del conocimiento fomenta el ambiente organizacional, proporciona recursos, y desarrolla procesos que promueven la creatividad organizacional y facilitan el proceso de innovación. Palabras clave: conocimiento organizacional, gestión del conocimiento, creatividad organizacional, aprendizaje continuo, gestión de competencias Impact of Knowledge Management Practices on Organizational Creativity AbstractThis paper studies how knowledge can be managed within the organizations to promote the generation of new and useful ideas. The aim of the paper is to show specific knowledge management practices that have impact on organizational creativity. Structural equations by the partial least squares method and bootstrappercentile analysis to test the existence of mediation in a sample of 160 companies were used. It was found that continuous learning practices and management of individual skills of employees have significant impact on creativity, considered a source of competitive advantage and an indispensable element for the survival of organizations. Therefore, it was recognized that startup of knowledge management practices promotes an organizational environment, provides resources, and develops processes that promote organizational creativity and facilitate the process of innovation.

The physical characterization of the chemical bond in the ground state has been a central theme to theoretical chemistry. Among many techniques, quantum chemical topology (QCT) has emerged as a robust technique to understand the features of the chemical bond and electron organization within molecules. One consolidate tool within QCT is the topological analysis of the electron localization function (ELF). Most research on ELF and chemical bond has focused either on singlet ground states or the first excited triplet. However, most photochemical reactions and photophysical processes occur in excited states with the same spin-symmetry as the ground state. In this work, we develop a proposal on how to compute the ELF in excited states of any symmetry within linear-response time-dependent density functional theory. Then, we study the evolution of the chemical bonds in the ground- and excited-state intramolecular proton transfer (ESIPT) of a prototypal Schiff base (the salicylidene methylamine). We found that the topological analysis of the ELF along reaction paths explains the presence of a barrier for the proton transfer in the ground state and the absence of it in the excited state. Briefly, in the ground state, the cleavage of the O–H bond results in a structure with high electrostatic potential energy due to an excess of electron lone-pairs (3) in the oxygen atom, which explains the barrier. In the excited state, the electronic transition promotes an enhancement of the basicity of nitrogen by allocating three nonbonding electrons in the basin of its lone-pair. This excess of electrons in the N exerts an electrostatic attraction of the proton, which we suggest as the primary driven-force of the barrierless reaction. Because in excited states the molecule can develop more vibrational kinetic energy than in the ground state, we performed an ab initio molecular dynamics of the proton transfer in the excited state and corroborate that our conclusions on the topology of the ELF do not change due to dynamic effects.