Recent advances in quantum‐mechanical molecular dynamics simulations of proton transfer mechanism in various water‐based environments
Proton transfer in water‐based environments occurs because of hydrogen‐bond interaction.
There are many interesting physicochemical phenomena in this field, causing fast structural …
There are many interesting physicochemical phenomena in this field, causing fast structural …
Hydrate-Anion Complex of Proton [H(H2O)n]+А− as the Basis of the Complex Acidity Function Н0w of Aqueous Solutions of Strong Mineral Acids in Excess of …
SN Ivanov, VA Kozlov, TE Nikiforova… - Russian Journal of …, 2023 - Springer
Based on the concept of the proton hydrate-anion complex [H (H2O) n]+ A−, equations are
proposed that characterize the catalytic activity of the proton in aqueous solutions of three …
proposed that characterize the catalytic activity of the proton in aqueous solutions of three …
Energetic Effects of a Closed System Approach Including Explicit Proton and Electron Acceptors as Demonstrated by a Mononuclear Ruthenium Water Oxidation …
When considering water oxidation catalysis theoretically, accounting for the transfer of
protons and electrons from one catalytic intermediate to the next remains challenging …
protons and electrons from one catalytic intermediate to the next remains challenging …
Proton Transport in [BMIM+][BF4–]/Water Mixtures Near the Percolation Threshold
The incorporation of ionic liquids into existing proton exchange membrane (PEM) materials
has been shown to enhance thermal stability and improve conductivity at reduced water …
has been shown to enhance thermal stability and improve conductivity at reduced water …
Reactive Molecular Dynamics in Ionic Media
JP Stoppelman - 2023 - search.proquest.com
Chemical reactions are among the most fundamental phenomena within the field of
chemistry. In many contexts, reactions are conducted or occur in condensed phase …
chemistry. In many contexts, reactions are conducted or occur in condensed phase …
Гидрат-анионный комплекс протона [H (H2O) n]+ А− как основа комплексной функции кислотности водных растворов сильных минеральных кислот в избытке …
СН Иванов, ВА Козлов, ТЕ Никифорова… - Российский …, 2023 - rcj-isuct.ru
Аннотация На основе представлений о гидрат-анионном комплексе протона [H (H 2 O)
n]+ А− предложены уравнения, характеризующие каталитическую активность протона …
n]+ А− предложены уравнения, характеризующие каталитическую активность протона …
[LIBRO][B] The Acidity and Proticity of Soil Microhabitats
MJ Braus - 2020 - search.proquest.com
Soil scientists, microbiologists, and biogeochemists will encounter values of “soil pH”
throughout the scientific literature and various public databases, and this dissertation …
throughout the scientific literature and various public databases, and this dissertation …
[LIBRO][B] Properties of Liquid Water and Solvated Ions Based on First Principles Calculations
L Zheng - 2018 - search.proquest.com
Water is of essential importance for life on earth, yet the physics concerning its various
anomalous properties has not been fully illuminated. This thesis is dedicated to the …
anomalous properties has not been fully illuminated. This thesis is dedicated to the …