Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/physreva.42.6443 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Expanding Horizons in Quantum Chemical Studies: The Versatile Power of MRSF-TDDFT.
Acc Chem Res
January 2025
Department of Chemistry, Seoul National University, Seoul 151-747, South Korea.
ConspectusWhile traditional quantum chemical theories have long been central to research, they encounter limitations when applied to complex situations. Two of the most widely used quantum chemical approaches, Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT), perform well in cases with relatively weak electron correlation, such as the ground-state minima of closed-shell systems (Franck-Condon region). However, their applicability diminishes in more demanding scenarios.
View Article and Find Full Text PDFDoubly robust estimation under covariate-induced dependent left truncation.
Biometrika
September 2024
Department of Mathematics, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093, USA.
In prevalent cohort studies with follow-up, the time-to-event outcome is subject to left truncation leading to selection bias. For estimation of the distribution of the time to event, conventional methods adjusting for left truncation tend to rely on the quasi-independence assumption that the truncation time and the event time are independent on the observed region. This assumption is violated when there is dependence between the truncation time and the event time, possibly induced by measured covariates.
View Article and Find Full Text PDFTheoretical Prediction of Divalent Actinide Borozene Complexes.
Molecules
December 2024
Laboratory of Nuclear Energy Chemistry, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China.
The aromatic boron cluster B () has similar π bonding to CH, which is named "borozene". The B ligand has been observed to stabilize monovalent Ln(+I) in -LnB (Ln = La, Pr, Tb, Tm, and Yb) borozene complexes. Low-valency actinide complexes have been reported more rarely, and B may be one of the potential ligands.
View Article and Find Full Text PDFSpectroscopic and Quantum Chemical Evidence of Amine-CO and Alcohol-CO Interactions: Confirming an Intriguing Affinity of CO to Monoethanolamine (MEA).
Molecules
November 2024
Department of Chemistry, Technical University of Denmark, Kemitorvet 206, 2800 Kongens Lyngby, Denmark.
A recent broadband rotational spectroscopic investigation of the cross-association mechanisms of CO with monoethanolamine (MEA) in molecular beams [F. Xie et al., , , , e202218539] revealed an intriguing affinity of CO to the hydroxy group.
View Article and Find Full Text PDFVentricular septal defect characteristics influence presence of septal anatomical isthmuses in patients with repaired tetralogy of Fallot.
Europace
December 2024
Department of Cardiology, Heart Lung Centre, Leiden University Medical Centre, P.O. Box 9600, 2300 RC Leiden, The Netherlands.
Aims: In repaired tetralogy of Fallot (rTOF), the septal anatomical isthmuses (AI), AI 3, between the ventricular septal defect (VSD) and pulmonary annulus, and AI 4, between the VSD and tricuspid annulus, are important ventricular tachycardia (VT) substrates when slow conducting. Our aim was to assess the influence of VSD characteristics, specifically the presence of muscular or fibrous tissue at its border, on the presence or absence of septal AIs, potentially related to VT.
Methods And Results: All consecutive rTOF patients who underwent electroanatomical mapping between January 2005 and March 2023 with an available surgical report providing VSD details (n = 91) were included.
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!