In this work, we identify the phase-space structures which are responsible for chaotic dynamics observed in KCN molecular system using Lagrangian descriptors. We show that vibrational of molecule is strongly determined by invariant manifolds associated with a particular stretching periodic orbit previously described (Párraga et al., 2018). Likewise, representation these on Poincaré surface sect...

Vibrational (J = 0) states for the KCN molecule are calculated in Jacobi coordinates, employing a discrete variable representation (DVR) for the angular internal coordinate. The power of the DVR method is once again illustrated in that some 800 vibrational (J = 0) states are converged for a two-dimensional potential-energy surface. The energy region studied is that where the classical dynamics ...

Dynamical calculations are performed on an ab initio potential energy surface for KCN. Approximate variational solutions of the vibrational Eckart hamihonian are presented for several states. Fundamental vibrations are found to lie at 302.7 cm -1 and 119.7 cm -1. An effective rotational hamihonian is solved for several vibrational states allowing vibrational assignments to be made to the observ...

Arbuscular mycorrhizal fungi (AMF) are crucial components of fertile soils, able to provide several ecosystem services for crop production. Current economic, social and legislative contexts should drive the so-called "second green revolution" by better exploiting these beneficial microorganisms. Many challenges still need to be overcome to better understand the mycorrhizal symbiosis, among whic...

Irradiation of electron-donating substituted phenyl halides (fluorides and chlorides) or esters (mesylates, triflates and phosphates) in aqueous MeCN in the presence of KCN gives the corresponding benzonitriles in 48 to 100% yield through an ArSN1 reaction with the intermediacy of a triplet phenyl cation.

The respiration of excised oat (Avena sativa cv Victory) leaves and their sensitivity to inhibitors was followed during senescence under varied conditions. The respiration rate, which in controls reaches its peak on the third day in darkness, is lowered at the time of fastest loss of chlorophyll (as reported earlier) by seven unrelated reagents that all delay dark senescence. When senescence is...

The effects of blockade of cq-adrenergic receptors on the mechanical properties of the arterial wall were studied in 10 spontaneously hypertensive rats (SHR) as compared with 10 matched normotensive Wistar-Kyoto (WKY) rats. Ascending aortic pressure and flow were recorded in open-chest anesthetized rats, and the systemic arterial compliance was calculated. Intravenous injection (1 mg/kg) of Ura...

Three-dimensional Cu-Si and Cu-SiO(2) nanorod arrays containing ~68 at% Cu have been fabricated by a glancing angle co-deposition technique. By selectively etching Cu in 0.05 M KCN methanol solution, porous nanorods with different shapes form, which are promising for applications in sensors, catalysts, and as medical capsules that are able to be loaded with functional materials.