The parameters of the (3,-3) critical point in the localized orbital locator topology near a heteroatom have been found to reflect the changes in the size, density and electron energy of the lone pair and correlate with the donor ability of the lone pair carrying heteroatom.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d1cp04143f | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Treatment of Post-Septal Orbital Cellulitis due to Odontogenic Infection.
J Craniofac Surg
January 2025
Department of Oral Medicine and Pediatric Dentistry, State University of Londrina, Londrina.
Orbital cellulitis happens when the region behind the orbital septum is affected. It consists an urgency because of its potential risks of complications, such as vision loss, cavernous sinus thrombosis, or Lemierre Syndrome. This article reports a case of a subperiosteal and orbital cellulitis, which had a periapical lesion in the left first molar as it´s focus.
View Article and Find Full Text PDFDynamical properties of the composed Logistic-Gauss map.
Chaos
January 2025
Physics Institute, University of São Paulo-USP, São Paulo, SP 05508-090, Brazil.
This study focuses on the analysis of a unique composition between two well-established models, known as the Logistic-Gauss map. The investigation cohesively transitions to an exploration of parameter space, essential for unraveling the complexity of dissipative mappings and understanding the intricate relationships between periodic structures and chaotic regions. By manipulating control parameters, our approach reveals intriguing patterns, with findings enriched by extreme orbits, trajectories that connect local maximum and minimum values of one-dimensional maps.
View Article and Find Full Text PDFAdult and pediatric orbital rhabdomyosarcoma: comparison of characteristics and outcomes.
Orbit
January 2025
Department of Ophthalmology, Bascom Palmer Eye Institute, University of Miami, Miami, Florida, USA.
Introduction: Rhabdomyosarcoma (RMS) is a common pediatric orbital malignancy but is extremely rare in adults. This study assesses clinical and radiographic features, management, and outcomes in adult orbital RMS patients with comparison to pediatric patients.
Methods: A retrospective chart review from 2000-2023 at Bascom Palmer Eye Institute was conducted evaluating patients aged 0 to 100-years-old with biopsy-confirmed orbital RMS.
FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions.
J Chem Theory Comput
January 2025
Instituut-Lorentz, Universiteit Leiden, Leiden 2300RA, The Netherlands.
Embedding techniques allow the efficient description of correlations within localized fragments of large molecular systems while accounting for their environment at a lower level of theory. We introduce FragPT2: a novel embedding framework that addresses multiple interacting active fragments. Fragments are assigned separate active spaces, constructed by localizing canonical molecular orbitals.
View Article and Find Full Text PDFDynamic Phosphorescence Behavior of Carbene-Metal-Amide Complexes from the Perspective of Excited State Modulation.
Angew Chem Int Ed Engl
January 2025
Beijing Institute of Technology, School of Chemistry and Chemical Engineering, CHINA.
Carbene-metal-amide (CMA) complexes have diverse applications in luminescence, imaging and sensing. In this study, we designed and synthesized a series of CMA complexes, which were subsequently doped into a PMMA host. These materials demonstrate light-induced dynamic phosphorescence, attributed to their long intrinsic triplet state lifetime (τP,int, in the μs-ms scale), high intersystem crossing (ISC) rate constant (kISC, up to 107 s-1), and bright phosphorescence.
View Article and Find Full Text PDFWant 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!