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Physical Chemistry

Working Paper

Hydrogen peroxide disproportionation: time-resolved optical measurements of spectra, scattering and imaging combined with correlation analysis and simulations

Mohamed Ibrahim, Rene Nome

Version 1 posted 13 September 2021

152

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Physical Chemistry

Working Paper

Density matrix via few dominant observables for the ultrafast non-radiative decay in pyrazine

Ksenia Komarova

Version 1 posted 31 October 2022

78

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Theoretical and Computational Chemistry

Working Paper

Encoding prior knowledge in ensemble refinement

Jürgen Köfinger, Gerhard Hummer

Version 3 posted 20 February 2024

261

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Physical Chemistry

Working Paper

On the Geometrical Representation of Classical Statistical Mechanics

Georgios C. Boulougouris

Version 1 posted 18 October 2018

1,000

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Chemical Engineering and Industrial Chemistry

Working Paper

Retrosynthesis Prediction using Grammar-based Neural Machine Translation: An Information-Theoretic Approach

Vipul Mann, Venkat Venkatasubramanian

Version 2 posted 26 August 2021

774

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Analytical Chemistry

Working Paper

A Fast Approximation for Adaptive Wavelength Selection for Infrared Chemical Sensors

Mark Chilenski, Cara Murphy, Gil Raz

Version 1 posted 02 November 2018

769

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Inorganic Chemistry

Working Paper

crystIT: Complexity and Configurational Entropy of Crystal Structures via Information Theory

Clemens Kaußler, Gregor Kieslich

Version 1 posted 05 October 2020

380

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7 results in Information theory in Keywords: Information theory

Hydrogen peroxide disproportionation: time-resolved optical measurements of spectra, scattering and imaging combined with correlation analysis and simulations

Density matrix via few dominant observables for the ultrafast non-radiative decay in pyrazine

Encoding prior knowledge in ensemble refinement

On the Geometrical Representation of Classical Statistical Mechanics

Retrosynthesis Prediction using Grammar-based Neural Machine Translation: An Information-Theoretic Approach

A Fast Approximation for Adaptive Wavelength Selection for Infrared Chemical Sensors

crystIT: Complexity and Configurational Entropy of Crystal Structures via Information Theory

7 results in Keywords: Information theory