Results 41 to 50 of about 3,134,594 (306)
Controlling Chemical Reactions in Confined Environments: Water Dissociation in MOF-74
Applied Sciences, 2018 The confined porous environment of metal organic frameworks (MOFs) is an attractive system for studying reaction mechanisms. Compared to flat oxide surfaces, MOFs have the key advantage that they exhibit a well-defined structure and present significantly
Erika M. A. Fuentes-Fernandez +7 more
doaj +1 more source
Aqua dissociation nature of cesium hydroxide
, 2004 To understand the mechanism of aqueous base dissociation chemistry, the ionic dissociation of cesium-hydroxide in water clusters is examined using density functional theory and ab initio calculations.
Lee, HM +9 more
core +1 more source
Dissociation Rate Calculation via Constant-force Steered Molecular Dynamics Simulation [PDF]
, 2022 Steered molecular dynamics (SMD) simulations have been applied to molecular dissociation events by adding a harmonic force to molecules. Further, molecules are pulled at a constant velocity.
Shinji, Iida, Tomoshi, Kameda
core +1 more source
Redox driven B12-ligand switch drives CarH photoresponse
Nature Communications, 2023 CarH is a coenzyme B12-dependent photoreceptor involved in regulating carotenoid biosynthesis. How light-triggered cleavage of the B12 Co-C bond culminates in CarH tetramer dissociation to initiate transcription remains unclear. Here, a series of crystal
Harshwardhan Poddar +15 more
doaj +1 more source
Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation [PDF]
The Journal of Physical Chemistry Letters, 2020 Abstract In recent years tremendous progress in the field of light–matter interactions has unveiled that strong coupling to the modes of an optical cavity can alter chemistry even at room temperature. Despite these impressive advances, many fundamental questions of chemistry in cavities remain unanswered. This is also due to a lack of
Dominik Sidler +3 more
openaire +7 more sources
, 2012 Corrole and four of its isomers with subtle structural changes promoted by exchange of nitrogen and carbon atoms in the corrole ring have been studied by traveling wave ion mobility mass spectrometry and collision induced dissociation experiments ...
Gozzo, Fabio C. +9 more
core +1 more source
Hot dissociation, hole shrinkage, and hole re-delocalization in P3HT/PCBM organic photovoltaics [PDF]
, 2023 Despite recent progress in increasing the power conversion efficiencies of organic photovoltaics, the mechanism behind charge separation against Coulombic attractions remains unclear. To date, studies have emphasized both ultrafast charge transfer and/or
Shohei, Koda +8 more
core +1 more source
FEBS Letters, EarlyView.Ascidian Ciona larvae initially show strong clockwise tail twisting, which is largely corrected during development. However, a small residual twist remains. This study shows that organized helical myofibrils in tail muscles mechanically stabilize this residual asymmetry, preventing complete restoration of bilateral symmetry and revealing how embryos ...
Yuki S. Kogure +3 more
wiley +1 more source
Investigating transcription factor dynamics in health and disease using FRAP
FEBS Letters, EarlyView.FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj +3 more
wiley +1 more source
Surface chemistry in three dimensions:CO dissociation between two surfaces
, 2000 Based on self-consistent density functional calculations it is shown that a new dissociation process for CO adsorbed on a Ru(0001) surface is made possible when the distance to a second Ru(0001) surface placed just above it is below some critical value ...
Nørskov, Jens Kehlet +5 more
core +1 more source