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Population analysis

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3 results in Keywords: Population analysis

Organic Chemistry

Regioselectivity of the Claisen rearrangement of meta- and para-substituted allyl aryl ethers

William Thomas Möller, Svava Dögg Hreinsdóttir, Luis Antonio Arana, Benjamín Ragnar Sveinbjörnsson

Version 1 posted 13 June 2024

263

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Theoretical and Computational Chemistry

LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT

Ryky Nelson, Christina Ertural, Janine George, Volker Deringer, Geoffroy Hautier, Richard Dronskowski

Version 1 posted 25 March 2020

2,546

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Theoretical and Computational Chemistry

Mulliken-Dipole Population Analysis

Daniel G Trabada, Diego Soler-Polo, Jesus I. Mendieta-Moreno, José Ortega

Version 1 posted 28 July 2020

3,899

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