Computational estimation of pK a values
Year: 2015
Type: article
DOI: 10.1002/wcms.1218
Authors: Paul G. Seybold, George C. Shields
Institutions: Wright State University, Bucknell University
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: closed
Funder: National Science Foundation
Awards: MRI: Acquisition of High Performance Computers for the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY), Acquisition of High Performance Computers for the Northeastern Undergraduate Research Chemistry Consortium, MRI: Acquisition of a High Performance Computer for the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY), RUI: Thermodynamics of Secondary Aerosol Formation: The Role of Binary and Ternary Nucleation, RUI: Thermodynamics of Secondary Aerosol Formation; Formation of Neutral and Ionic Cloud Condensation Nuclei, Acquisition of a Linux Cluster for the Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY)
OpenAlex ID: W1488022185