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Updated: Mar 29, 2026

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Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem

Gennady N Chuev1,2, Marat Valiev3, Marina V Fedotova4

  • 1Max Planck Institute for Mathematics in the Sciences , Inselstrasse 22, Leipzig, 04103, Germany.

Journal of Chemical Theory and Computation
|November 25, 2015
PubMed

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