Imagen de Portada

Uni-pKa protonation container

Fuente: Zenodo

Guardado en:

Detalles Bibliográficos
Autor principal:	Polishchuk, Pavel
Formato:	Recurso digital
Publicado:	Zenodo 2025
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

pKa ML correction model for QM direct pKa calculation
por: Mattelaer, Charles-Alexandre
Publicado: (2026)

pKa as a Predictive Descriptor for Electrochemical Anion Adsorption
por: Mohammad H. Hasan, et al.
Publicado: (2024)

pKa as a Predictive Descriptor for Electrochemical Anion Adsorption
por: Mohammad H. Hasan, et al.
Publicado: (2024)

Hybrid Quantum-Classical Encoding for Accurate Residue-Level pKa Prediction
por: Le, Van, et al.
Publicado: (2026)

De Novo Construction of pKa‐Tunable Xanthene Molecules for pH Sensitive Fluorescence Navigation
por: Li‐Na Zhang, et al.
Publicado: (2024)

Thermodynamics-Informed Accurate pKa Prediction and Protonation State Generation in PlayMolecule AI
por: Pesce, Francesco, et al.
Publicado: (2026)

Sulfonated Hydroxyaryl‐Tetrazines with Increased pKa for Accelerated Bioorthogonal Click‐to‐Release Reactions in Cells
por: Michal Rahm, et al.
Publicado: (2024)

Solubility‐pKa Coupling Effect Tailored Nanoporous Nylon Aerogel Family with Multiple Thermomechanical Processes
por: Jian Chen, et al.
Publicado: (2025)

The pKa of Water and the Fundamental Laws Describing Solution Equilibria: An Appeal for a Consistent Thermodynamic Pedagogy
por: Thomas L. Neils, et al.
Publicado: (2024)

Comparison of Classical and Green RPLC Methods in the Determination of pKa Values of Some Piperazine Group Antihistamines
por: İkbal Demet Nane, et al.
Publicado: (2024)

Suppressing Alkyl Ammonium Deprotonation with Low‐pKa Solvent for Reproduceable and Stable High‐Efficiency Perovskite Solar Cells
por: Linrui Duan, et al.
Publicado: (2025)

Suppressing Alkyl Ammonium Deprotonation with Low‐pKa Solvent for Reproduceable and Stable High‐Efficiency Perovskite Solar Cells
por: Linrui Duan, et al.
Publicado: (2025)

Filling the Gap in LogP$$ LogP $$ and pKa$$ {pK}_a $$ Evaluation for Saturated Fluorine‐Containing Derivatives With Machine Learning
por: Oleksandr Gurbych, et al.
Publicado: (2025)

Sustainable Ethanol‐Based Reversed‐Phase Liquid Chromatography for Determination of Diltiazem pKa and Quantification with Integrated Green and White Analytical Metrics
por: Zehra Üstün, et al.
Publicado: (2026)

A Meta‐Analysis of Published Brønsted Plots Supports Brønsted's “Conventional” pKa Values: 14.00 for Water and 0.00 for H+(aq)
por: Todd P. Silverstein, et al.
Publicado: (2025)

Potentiometric and conductimetric studies of chemical equilibria for pyridoxine hydrochloride in aqueous solutions: simple experimental determination of pKa values and analytical applications to pharmaceutical analysis
por: Thiago de Almeida Drumond dos Santos
Publicado: (2010)

Determination of pKa Values of C−H Bonds in Polar Fluorinated Arenes Referred to a New CF3SO2‐Substituted Anchor Compound
por: Xiangmei Kong, et al.
Publicado: (2024)

Determinación del coeficiente de partición y del pKa de la 4,4´- diaminodifenilsulfona a partir de datos de solubilidad
por: Norma A. Noguez M.
Publicado: (2009)

Vulnerability of multilayer network systems to system-wide lesions
por: Polishchuk, Olexandr, et al.
Publicado: (2025)

Protection of multilayer network systems from targeted group attacks
por: Polishchuk, Olexandr, et al.
Publicado: (2025)

Data from 381 respondents for assessing social risk in the context of the spread of artificially created content (Ukraine)
por: Polishchuk, Volodymyr, et al.
Publicado: (2026)

NC-smooth thickenings and Jacobians
por: Polishchuk, Alexander
Publicado: (2025)

On supercurves of genus 1 with an underlying odd spin structure
por: Polishchuk, Alexander
Publicado: (2024)

Extended clutching construction for the moduli of stable curves
por: Polishchuk, Alexander
Publicado: (2021)

Structural and flow approaches to complex network systems lesions scale analysis
por: Polishchuk, Olexandr
Publicado: (2024)

Tailoring the Oxidizing Intermediate in the Fenton Reaction, OH⋅ or FeIV=Oaq, by Modifying the pKa of the (H2O)5FeII(H2O2) Complex, and the Case of PDS – a DFT Study
por: Dan Meyerstein, et al.
Publicado: (2024)

Analog of theta-lifting for a curve over dual numbers over a finite field
por: Kazhdan, David, et al.
Publicado: (2025)

3D-2D crossover and phase shift of beats of quantum oscillations of interlayer magnetoresistance in quasi-2D metals
por: Mogilyuk, Taras, et al.
Publicado: (2024)

Compatible Poisson Brackets Associated with Elliptic Curves in $G(2,5)$
por: Markarian, Nikita, et al.
Publicado: (2023)

Feigin-Odesskii brackets associated with Kodaira cycles and positroid varieties
por: Hua, Zheng, et al.
Publicado: (2024)

Exceptional pairs on del Pezzo surfaces and spaces of compatible Feigin-Odesskii brackets
por: Polishchuk, Alexander, et al.
Publicado: (2024)

Schwartz $κ$-densities on the moduli stack of rank $2$ bundles near stable bundles
por: Kazhdan, David, et al.
Publicado: (2024)

Algebra of global sections of $ψ$-bundles on $\bar{M}_{0,n}$
por: Polishchuk, Alexander, et al.
Publicado: (2024)

Convergence of integrals on the moduli spaces of curves and cographical matroids
por: Polishchuk, Alexander, et al.
Publicado: (2024)

$L^2$-property for algebraic stacks over local non-archimedean fields
por: Kazhdan, David, et al.
Publicado: (2026)

Two Iterative Algorithms for Solving Systems of Simultaneous Linear Algebraic Equations with Real Matrices of Coefficients
por: Kondratiev, A. S., et al.
Publicado: (2005)

On finite groups containing an element whose Engel sink is small
por: Khukhro, Evgeny, et al.
Publicado: (2026)

Superperiods and superstring measure near the boundary of the moduli space of supercurves
por: Felder, Giovanni, et al.
Publicado: (2024)

Schwartz $κ$-densities for the moduli stack of rank $2$ bundles on a curve over a local field
por: Braverman, Alexander, et al.
Publicado: (2024)

Projective connections on super Heisenberg coinvariants. I
por: Felder, Giovanni, et al.
Publicado: (2026)