Molecules are held together mainly by forces acting between individual atoms. Does the same apply to molecular clusters? Does intermolecular cohesion depend on weak bonds between individual atoms in different molecules or on less localized, more diffuse interactions between molecules? We discuss these questions from several viewpoints and in particular compare interpretations based on the extension of Bader's atoms in molecules (AIM) theory to cover closed-shell intermolecular interactions with interpretations based on the new pixel method for the calculation of coulombic, polarization, dispersion, and repulsion energies from the electron density of molecular clusters.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/anie.200460157 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Site-Specific for CO Photoreduction with Single-Atom Ni on Strained TiO Derived from Bimetallic Metal-Organic Frameworks.
Small
January 2025
College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao, 266042, P. R. China.
The photocatalytic reduction of CO in water to produce fuels and chemicals is promising while challenging. However, many photocatalysts for accomplishing such challenging task usually suffer from unspecific catalytic active sites and the inefficient charge carrier's separation. Here, a site-specific single-atom Ni/TiO catalyst is reported by in situ topological transformation of Ni-Ti-EG bimetallic metal-organic frameworks.
View Article and Find Full Text PDFDirect Observation of Fully Spin-Polarized Tunnel Current Between Quantum Spins Using a Single Molecule Sensor.
ACS Nano
January 2025
IBM Almaden Research Center, San Jose 95120-6099, California, United States.
Controlling spin-polarized currents at the nanoscale is of immense importance for high-density magnetic data storage and spin-based logic devices. As electronic devices are miniaturized to the ultimate limit of individual atoms and molecules, electronic transport is strongly influenced by the properties of the individual spin centers and their magnetic interactions. In this work, we demonstrate the precise control and detection of spin-polarized currents through two coupled spin centers at a tunnel junction by controlling their spin-spin interactions.
View Article and Find Full Text PDFCaptopril attenuates oxidative stress and neuroinflammation implicated in cisplatin-induced cognitive deficits in rats.
Psychopharmacology (Berl)
January 2025
Department of Pharmacology and Toxicology, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt.
Rationale: One of the most debilitating drawbacks of cisplatin chemotherapy is neurotoxicity which elicits memory impairment and cognitive dysfunction (chemobrain). This is primarily triggered by oxidative stress and inflammation. Captopril, an angiotensin-converting enzyme inhibitor, has been reported as a neuroprotective agent owing to its antioxidant and anti-inflammatory effects.
View Article and Find Full Text PDFDirect Electrical Access to the Spin Manifolds of Individual Lanthanide Atoms.
ACS Nano
January 2025
IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120, United States.
Lanthanide atoms show long magnetic lifetimes because of their strongly localized 4 electrons, but electrical control of their spins has been difficult because of their closed valence shell configurations. We achieved electron spin resonance of individual lanthanide atoms using a scanning tunneling microscope to probe the atoms bound to a protective insulating film. The atoms on this surface formed a singly charged cation state having an unpaired 6 electron, enabling tunnel current to access their 4 electrons.
View Article and Find Full Text PDF3D Femtosecond Laser Beam Deflection for High-Precision Fabrication and Modulation of Individual Voxelated PCM Meta-Atoms.
Adv Sci (Weinh)
January 2025
Laser Micro/Nano Fabrication Laboratory, School of Mechanical Engineering, Beijing Institute of Technology, Beijing, 100081, P. R. China.
Optical metasurfaces have found widespread applications in the field of optoelectronic devices. However, achieving dynamic and flexible control over metasurface functionalities, while also developing simplified fabrication methods for metasurfaces, continues to pose a significant challenge. Here, the study introduces a PCM-only metasurface that exclusively consists of voxel units crafted from different phases of phase-change materials.
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!