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6 results in Keywords: Radial Distribution Function

Physical Chemistry

Regularized weighted sine least-squares spectral analysis for gas electron diffraction data

Version 3 posted 11 September 2023

170

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Theoretical and Computational Chemistry

Effect of Particle Size and Alloying with Gallium and Zinc in Copper Nanoparticles from Ab Initio Molecular Dynamics

Andreas Müller, Aleix Comas-Vives, Christophe Copéret

Version 1 posted 27 August 2024

143

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Theoretical and Computational Chemistry

The Ionic Atmosphere Effect on the Absorption Spectrum of a Flavoprotein: A Reminder to Consider the Importance of Solution Ions

Benjamin Dratch, Yoelvis Orozco-Gonzalez, Giovanni Gadda, Samer Gozem

Version 1 posted 02 July 2021

327

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Theoretical and Computational Chemistry

Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations

Punyaslok Pattnaik, Shampa Raghunathan, Tarun Kalluri, Prabhakar Bhimalapuram, C. V. Jawahar, U. Deva Priyakumar

Version 1 posted 08 May 2020

1,137

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Inorganic Chemistry

Resolving the Equal Number Density Puzzle: Molecular Picture from Simulations of LiCl(aq) and NaCl(aq)

Man Nguyen Thi Hong, Ondrej Tichacek, Hector Martinez-Seara, Philip E. Mason, Pavel Jungwirth

Version 1 posted 26 November 2020

453

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Materials Science

Application of the Spatial Distribution Function to Colloidal Ordering

Niamh Mac Fhionnlaoich, Runzhang Qi, Stefan Guldin

Version 1 posted 16 September 2019

879

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