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dielectric continuum

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3 results in Keywords: dielectric continuum

Theoretical and Computational Chemistry

Testing a heterogeneous polarizable continuum model against exact Poisson boundary conditions

Paige Bowling, Montgomery Gray, Suranjan Paul, John Herbert

Version 1 posted 10 December 2024

111

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Theoretical and Computational Chemistry

State-specific solvation for restricted active space spin-flip (RAS-SF) wave functions based on the polarizable continuum formalism

Bushra Alam, Hanjie Jiang, Paul Zimmerman, John Herbert

Version 1 posted 17 March 2022

304

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Theoretical and Computational Chemistry

Electrostatic Potential Maps on Molecular Surfaces Using Least Squares Reconstruction

Alexander Boschitsch, marcia fenley

Version 2 posted 30 May 2023

522

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