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4 results in Keywords: Reaction

Inorganic Chemistry

Integrated Experimental-Theoretical Approach to Determine Reliable Molecular Reaction Mechanisms on Transition Metal Oxide Surfaces

Nickolas Ashburn, yongping zheng, Sampreetha Thampy, Sean Dillon, Yves Chabal, Julia W. P. Hsu, Kyeongjae Cho

Version 1 posted 03 December 2018

722

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Theoretical and Computational Chemistry

A database of molecular properties integrated in the Materials Project

Evan Walter Clark Spotte-Smith, Orion Archer Cohen, Samuel Blau, Jason Munro, Ruoxi Yang, Rishabh Guha, Hetal Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury, Matthew Horton, Kristin Persson

Version 3 posted 04 October 2023

946

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Physical Chemistry

Finite-Size Effects in Simulations of Chemical Reactions

Pascal Hebbeker, Pablo Blanco, Filip Uhlík, Peter Kosovan

Version 1 posted 16 August 2023

130

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1

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Theoretical and Computational Chemistry

LinChemIn: SynGraph. A data model and a toolkit to analyze and compare synthetic routes

Marta Pasquini, Marco Stenta

Version 1 posted 18 November 2022

756

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