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Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

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David Tew

3 results in Authors: David Tew

Theoretical and Computational Chemistry

Computational study of the rovibrational spectrum of H2O-HF

Dominika VIGLASKA, Xiao-Gang Wang, Tucker CARRINGTON, David Tew

Version 1 posted 21 December 2021

333

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Theoretical and Computational Chemistry

Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes

Jordi Juárez-Jiménez, Philip Tew, Michael o'connor, Salome Llabres, Rebecca Sage, David Glowacki, Julien Michel

Version 3 posted 07 October 2020

1,192

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Theoretical and Computational Chemistry

On the Role of Valence and Semi-Core Electron Correlation on Spin-Gaps in Fe(II)-Porphyrins

Giovanni Li Manni, Daniel Kats, David Tew, Ali Alavi

Version 1 posted 15 October 2018

903

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