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Catalysis

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Physical Chemistry

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Theoretical and Computational Chemistry

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lattice energy

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4 results in Keywords: lattice energy

Physical Chemistry

Machine-Learnt Fragment-Based Energies for Crystal Structure Prediction

David McDonagh, Chris-Kriton Skylaris, Graeme Day

Version 1 posted 14 January 2019

598

Downloads

Ketonization of Valeric Acid to 5-Nonanone over Metal Oxides catalysts

Ali Alizadeh Eslami, François Devred, Damien P Debecker

Version 1 posted 21 August 2024

76

Downloads

Physical Chemistry

Multi-fidelity Statistical Machine Learning for Molecular Crystal Structure Prediction

Olga Egorova, Roohollah Hafizi, David C. Woods, Graeme Day

Version 1 posted 03 June 2020

573

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Theoretical and Computational Chemistry

Modified Born-Lande Equation to calculate Lattice Energy in a theoretical approach

Aakash Gupta, Debasis Jana

Version 1 posted 27 September 2021

3,980

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