Results 101 to 110 of about 2,313,045 (347)
Chirality Changes in Carbon Nanotubes Studied with Near-Field Raman Spectroscopy [PDF]
, 2007 We report on the direct visualization of chirality changes in carbon nanotubes by mapping local changes in resonant RBM phonon frequencies with an optical resolution of 40 nm using near-field Raman spectroscopy.
Anderson, Neil +2 more
core +2 more sources
Supramolecular Chemistry in Metal–Organic Framework Materials
Advanced Materials, EarlyView.This review highlights synergies between reticular chemistry and supramolecular chemistry. The role of supramolecular interactions in determining framework…guest interactions and attempts to understand dynamic behavior in metal–organic frameworks (MOFs), particularly emphasizing the development of crystal sponges, studying reactions in frameworks and ...
Eugenia Miguel‐Casañ +3 more
wiley +1 more source
Structural Dynamics, 2017 Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of ...
Sergey V. Antipov +6 more
doaj +1 more source
Advanced Materials, EarlyView.This review explores how in situ and operando spectroscopic techniques reveal the real‐time behavior of reticular materials, including MOFs and COFs. These methods track material formation and functionalization, structural changes, defect formation, dynamic responses to external triggers, and catalytic processes.
Bettina Baumgartner +4 more
wiley +1 more source
Analysis of two intramolecular proton transfer processes in terms of the reaction force
The Journal of Chemical Physics, 2004 The negative derivative of the potential energy along an intrinsic reaction coordinate defines a force that has qualitatively a universal form for any process having an energy barrier: it passes through a negative minimum before the transition state, at which it is zero, followed by a positive maximum.
Toro Labbé, Alejandro +4 more
openaire +6 more sources
Advanced Materials, Volume 37, Issue 13, April 2, 2025.Leveraging the numerous advantages of ammonium‐ion (NH₄⁺)—including cost‐effectiveness, low corrosiveness, preferential orientation, and rapid diffusion kinetics—aqueous NH₄⁺ batteries (AAIBs) have gained significant attention. This review highlights and evaluates the progress of AAIBs utilizing organic electrode materials such as small molecules ...
Mangmang Shi, Xiaoyan Zhang
wiley +1 more source
Recent Advances in Wide‐Bandgap Perovskite Solar Cells
Advanced Materials, EarlyView.Ubiquitous defects predominately account for photo‐instability and open‐circuit voltage losses in wide‐bandgap perovskite solar cells (WBG PSCs). This review comprehensively presents the underlying impact mechanisms, summarizes the advanced optimization strategies across various functional layers and their interfaces to develop efficient and stable WBG
Jianjun Mei, Feng Yan
wiley +1 more source
Data in Brief, 2016 We here give information for a deeper understanding of single molecule force spectroscopy (SMFS) data through the example of the blood protein von Willebrand factor (VWF).
Sandra Posch +14 more
doaj
Entropy, 2013 Molecular modeling is an important subdomain in the field of computational modeling, regarding both scientific and industrial applications. This is because computer simulations on a molecular level are a virtuous instrument to study the impact of ...
Dirk Reith, Marco Hülsmann
doaj +1 more source
Simulation of quantum zero-point effects in water using a frequency-dependent thermostat
, 2013 Molecules like water have vibrational modes with a zero-point energy well above room temperature. As a consequence, classical molecular dynamics simulations of their liquids largely underestimate the energy of modes with a higher zero-point temperature ...
Fernández-Serra, M. V. +2 more
core +1 more source