One-dimensional quantum description of the bending vibrations of HCN/CNH for high values of the total angular momentum.

Spectrochim Acta A Mol Biomol Spectrosc

Laboratoire de Chimie Physique (CNRS, UMR 8000), Université de Paris-Sud, Centre scientifique d'Orsay, France.

Published: March 2002

For high values of the quantum number of the total angular momentum J (up to J = 20), quantum mechanical eigenstates (eigenvalues and eigenfunctions) are calculated by the method of Gatti et al. (J. Mol. Spectrosc. 181 (1997) 403) for the bending deformations of HCN and CNH. In particular, we have examined the l-type resonances in highly excited rovibrational states within the framework of a one-dimensional model, i.e. along the reaction pathway for the isomerization reaction HCN/CNH. The potential energy surface used is that of Bowman et al. (J. Chem. Phys. 99 (1993) 308).

Download full-text PDF

Source
http://dx.doi.org/10.1016/s1386-1425(01)00662-xDOI Listing

Publication Analysis

Top Keywords

high values
8
total angular
8
angular momentum
8
one-dimensional quantum
4
quantum description
4
description bending
4
bending vibrations
4
vibrations hcn/cnh
4
hcn/cnh high
4
values total
4

Similar Publications

Geometrically modulated contact forces enable hula hoop levitation.

Proc Natl Acad Sci U S A

January 2025

Applied Mathematics Laboratory, Courant Institute of Mathematical Sciences, Department of Mathematics, New York University, New York, NY 10012.

Mechanical systems with moving points of contact-including rolling, sliding, and impacts-are common in engineering applications and everyday experiences. The challenges in analyzing such systems are compounded when an object dynamically explores the complex surface shape of a moving structure, as arises in familiar but poorly understood contexts such as hula hooping. We study this activity as a unique form of mechanical levitation against gravity and identify the conditions required for the stable suspension of an object rolling around a gyrating body.

View Article and Find Full Text PDF

The return of stagnant slab recorded by intraplate volcanism.

Proc Natl Acad Sci U S A

January 2025

State Key Laboratory of Continental Dynamics, Department of Geology, Northwest University, Xi'an 710069, China.

Subducted plates often stagnate in the mantle transition zone (MTZ), and the fate of the stagnant slabs is still debatable. They may sink into the lower mantle, or remain partially trapped in the MTZ, but it is uncertain whether they can return to the upper mantle. We report geochemical evidence of late-Miocene (~6 Ma) basalts from, and upper mantle seismic evidence beneath Shuangyashan, an area above the slab tear of the stagnant Pacific plate in eastern Asia, to show how the slab returns to the upper mantle from the MTZ.

View Article and Find Full Text PDF

With over 14 million people living above 3,500 m, the study of acclimatization and adaptation to high altitude in human populations is of increasing importance, where exposure to high altitude (HA) imposes a blood oxygenation and acid-base challenge. A sustained and augmented hypoxic ventilatory response protects oxygenation through ventilatory acclimatization, but elicits hypocapnia and respiratory alkalosis. A subsequent renally mediated compensatory metabolic acidosis corrects pH toward baseline values, with a high degree of interindividual variability.

View Article and Find Full Text PDF

Health care is undergoing a "revolution," where patients are becoming consumers and armed with apps, consumer review scores, and, in some countries, high out-of-pocket costs. Although economic analyses and health technology assessment (HTA) have come a long way in their evaluation of the clinical, economic, ethical, legal, and societal perspectives that may be impacted by new technologies and procedures, these approaches do not reflect underlying patient preferences that may be important in the assessment of "value" in the current value-based health care transition. The major challenges that come with the transformation to a value-based health care system lead to questions such as "How are economic analyses, often the basis for policy and reimbursement decisions, going to switch from a societal to an individual perspective?" and "How do we then assess (economic) value, considering individual preference heterogeneity, as well as varying heuristics and decision rules?" These challenges, related to including the individual perspective in cost-effectiveness analysis (CEA), have been widely debated.

View Article and Find Full Text PDF

Objective: To compare the diagnostic capability of Pöschl reformations created from temporal bone CT (TBCT) and high-resolution noncontrast CT head exams (HR-NECTH) to detect and classify superior semicircular canal (SSC) abnormalities.

Study Design: Retrospective case review.

Setting: Tertiary referral center.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!