Proton-coupled electron transfer
An initial review (PCET1) on proton-coupled electron transfer (PCET) by Huynh and Meyer
appeared in Chemical Reviews in 2007.(1) This is a follow-up on the original. It was …
appeared in Chemical Reviews in 2007.(1) This is a follow-up on the original. It was …
A universal approach for continuum solvent pK a calculations: are we there yet?
This paper reviews several p K a calculation strategies that are commonly used in aqueous
acidity predictions. Among those investigated were the direct or absolute method, the proton …
acidity predictions. Among those investigated were the direct or absolute method, the proton …
Proton donors induce a differential transport effect for selectivity toward ammonia in lithium-mediated nitrogen reduction
Alternative approaches for producing ammonia are necessary to reduce the environmental
impact of its production. The lithium-mediated electrochemical nitrogen reduction reaction …
impact of its production. The lithium-mediated electrochemical nitrogen reduction reaction …
[KSIĄŻKA][B] Pharmaceutical stress testing: predicting drug degradation
SW Baertschi, KM Alsante, RA Reed - 2016 - books.google.com
The second edition of Pharmaceutical Stress Testing: Predicting Drug Degradation provides
a practical and scientific guide to designing, executing, and interpreting stress testing …
a practical and scientific guide to designing, executing, and interpreting stress testing …
Strengths of acids in acetonitrile
A Kütt, S Tshepelevitsh, J Saame… - European Journal of …, 2021 - Wiley Online Library
The equilibrium acidity scale (pKa scale) in acetonitrile has been supplemented by
numerous new compounds and new ΔpKa measurements. It now contains altogether 231 …
numerous new compounds and new ΔpKa measurements. It now contains altogether 231 …
Density Functional Theory Calculation of pKa's of Thiols in Aqueous Solution Using Explicit Water Molecules and the Polarizable Continuum Model
The p K a's of substituted thiols are important for understanding their properties and
reactivities in applications in chemistry, biochemistry, and material chemistry. For a …
reactivities in applications in chemistry, biochemistry, and material chemistry. For a …
Intermolecular Anti-Markovnikov Hydroamination of Alkenes with Sulfonamides, Sulfamides, and Sulfamates
A Lin, MJ Karrasch, Q Yan, JM Ganley, BG Hejna… - ACS …, 2024 - ACS Publications
A general method for the light-driven intermolecular anti-Markovnikov hydroamination of
alkenes with primary sulfonamides, sulfamides, and sulfamates is presented. The reaction is …
alkenes with primary sulfonamides, sulfamides, and sulfamates is presented. The reaction is …
Are thermodynamic cycles necessary for continuum solvent calculation of p K as and reduction potentials?
J Ho - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Continuum solvent calculations of pKas and reduction potentials usually entail the use of a
thermodynamic cycle to express the reaction free energy in terms of gas phase energies and …
thermodynamic cycle to express the reaction free energy in terms of gas phase energies and …
Hybrid discrete‐continuum solvation methods
JR Pliego Jr, JM Riveros - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
Hybrid discrete‐continuum approaches for solvation have been widely applied for diverse
problems in chemistry suck as pKa calculation in aqueous and nonaqueous solvents …
problems in chemistry suck as pKa calculation in aqueous and nonaqueous solvents …
Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and …
An empirical conversion method (ECM) that transforms p K a values of arbitrary organic
compounds from one solvent to the other is introduced. We demonstrate the method's …
compounds from one solvent to the other is introduced. We demonstrate the method's …