Results 41 to 50 of about 3,305,998 (232)
Theory and modeling of light-matter interactions in chemistry: current and future [PDF]
arXiv, 2023 Light-matter interaction not only plays an instrumental role in characterizing materials' properties via various spectroscopic techniques but also provides a general strategy to manipulate material properties via the design of novel nanostructures.
arxiv
λ/2 Fabry Pérot micro-resonators in single molecule spectroscopy
EPJ Web of Conferences, 2018 Embedded in a tuneable λ/2-FabryPérot micro-resonator the radiative relaxation of a dye molecule or quantum dot can reproducibly be modified allowing to determine their quantum yield, control Förster energy-transfer or localize them with nanometer ...
Meixner Alfred J. +4 more
doaj +1 more source
Molecules, 2018 Tris(2,3,5,6-tetrathiaaryl)methyl radicals, so-called trityl radicals, are emerging as spin labels for distance measurements in biological systems based on Electron Paramagnetic Resonance (EPR).
J. Jacques Jassoy +4 more
doaj +1 more source
The Basics of Quantum Computing for Chemists [PDF]
, 2022 The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. However, the architectural computer archetype that enabled such a progress is approaching a state of more stagnant development. One of the most promising technological avenues for
arxiv +1 more source
Photochemistry. A modern theoretical perspective [PDF]
, 2018 This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics.
Granucci, Giovanni, Persico, Maurizio
core +1 more source
The Role of Efficient Programming in Theoretical Chemistry and Physics Problems [PDF]
Computational Methods in Science and Technology, 1996 Various aspects of efficient programming of high-performance computer systems are discussed, using an example from modern electronic structure theory. It is shown that efficient programming is indispensable in today's theoretical studies by reducing drastically involved computer time.
openaire +2 more sources
Strong inverse kinetic isotope effect observed in ammonia charge exchange reactions
Nature Communications, 2020 Inverse kinetic isotope effects (KIEs) are rarely observed. Here, the authors report an inverse KIE in the charge transfer reaction of $${{\rm{Xe}}}^{+}$$ Xe+ with ammonia.
L. S. Petralia +4 more
doaj +1 more source
Ionic Liquids Based on the Concept of Melting Point Lowering Due to Ethoxylation
Molecules, 2021 Most of the commonly used Ionic Liquids (ILs) contain bulky organic cations with suitable anions. With our COMPLET (Concept of Melting Point Lowering due to Ethoxylation), we follow a different approach.
Manuel Rothe +3 more
doaj +1 more source
On the Relationship between CH$_3$OD Abundance and Temperature in the Orion KL Nebula [PDF]
, 2022 The relative abundances of singly-deuterated methanol isotopologues, [CH$_{2}$DOH]/[CH$_{3}$OD], in star-forming regions deviate from the statistically expected ratio of 3. In Orion KL, the nearest high-mass star-forming region to Earth, the singly-deuterated methanol ratio is about 1, and the cause for this observation has been explored through theory
arxiv +1 more source
Understanding the Sensing Mechanism of Rh2O3 loaded In2O3
Proceedings, 2018 The effect of Rh loading on CO sensing was studied for the case of In2O3. This was done by performing measurements with sensors based on loaded and unloaded materials that were performed at an operation temperature of 300 °C in the presence of low ...
Inci Boehme +5 more
doaj +1 more source