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Theoretical and Computational Chemistry

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RMSD

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3 results in Keywords: RMSD

Theoretical and Computational Chemistry

Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions

Version 2 posted 14 March 2025

231

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Theoretical and Computational Chemistry

Collaborative assessment of molecular geometries and energies from the Open Force Field

Lorenzo D'Amore, David Hahn, David Dotson, Joshua Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David Mobley, Arjun Narayanan, Christina Schindler, William Swope, Pieter in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern

Version 1 posted 04 November 2022

517

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Theoretical and Computational Chemistry

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

Victoria T. Lim, David F. Hahn, Gary Tresadern, Christopher I. Bayly, David Mobley

Version 2 posted 13 August 2020

1,717

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1

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