Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors

Citation

Xu, L & Coote, M 2019, 'Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors', Journal of Chemical Theory and Computation (JCTC), vol. 15, no. 12, pp. 6958-6967.

Year

2019

ANU Authors

Field of Research

  • Quantum Chemistry

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