Search

5 results in Keywords: Reaction

Physical Chemistry

Finite-Size Effects in Simulations of Chemical Reactions

Pascal Hebbeker, Pablo Blanco, Filip Uhlík, Peter Kosovan

Version 1 posted 16 August 2023

133

Downloads

1

Citations

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

783

Downloads

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

723

Downloads

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

972

Downloads

Investigating the presence of different catalysts and their effect on the rate of decomposition of hydrogen peroxide at various temperatures, analyzed through the change in oxygen volume in controlled laboratory conditions.

Evan Trinh, Kevin Trinh

Version 1 posted 20 November 2024

0

Downloads