Computing pKa Shifts Using Traditional Molecular Dynamics: Example of Acid–Base Indicator Dyes in Organized Solutions
Author:
Affiliation:
1. V. N. Karazin Kharkiv National University, 4 Svoboda Square, Kharkiv 61022, Ukraine
Funder
Ministry of Education and Science of Ukraine
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00231
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1. Optical Chemical pH Sensors
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