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Inorganic Chemistry

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Natural Bond Orbitals

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3 results in Keywords: Natural Bond Orbitals

Organic Chemistry

Quantifying Vertical Resonance Energy in Aromatic Systems with Natural Bond Orbitals

Karnjit Parmar, Michel Gravel

Version 1 posted 10 October 2022

390

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Organic Chemistry

An Explosophore-Based Approach Towards the Prediction of Energetic Material Sensitivity Properties

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman, Song Lin

Version 2 posted 10 August 2021

1,672

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1

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Inorganic Chemistry

Pb-oxo Interactions in Uranyl Hybrid Materials: a Combined Experimental and Computational Analysis of Bonding and Spectroscopic Properties

Dominique M. Brager, Aaron D. Nicholas, Mark H. Schofield, Christopher L. Cahill

Version 1 posted 16 August 2021

318

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