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Solvation model

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3 results in Keywords: Solvation model

Theoretical and Computational Chemistry

Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry

Duo Song, Eric Bylaska, Maria Sushko, Kevin Rosso

Version 1 posted 25 September 2023

287

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Theoretical and Computational Chemistry

A Brief Review of Density Functional Theory and Solvation Model

Anoop Kumar Kushwaha

Version 1 posted 17 March 2022

1,414

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Theoretical and Computational Chemistry

Rapid and complete prediction of Madder natural dyes’ color and properties through computational method

Linh TRAN, Romain BERRAUD-PACHE, Maguy JABER

Version 1 posted 21 February 2024

1,190

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