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Environmental Control Programs the Emergence of Distinct Product Ensembles from Unconstrained Chemical Reaction Networks

Andrew J. Surman,, Marc Rodriguez Garcia, Yousef Abul-Haija, Geoffrey Cooper, Piotr S. Gromski, Rebecca Turk-MacLeod, Margaret Mullin, Cole Mathis, Sara Walker, Leroy Cronin

Version 1 posted 14 August 2018

846

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Theoretical and Computational Chemistry

Working Paper

Reaction Networks and the Metric Structure of Chemical Space(s)

Dmitrij Rappoport

Version 1 posted 28 January 2019

904

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Catalysis

Working Paper

Revisiting Catalytic Cycles: A Broader View Through the Energy Span Model

Diego Garay-Ruiz, Carles Bo

Version 1 posted 28 May 2020

883

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Theoretical and Computational Chemistry

Working Paper

A mechanism of abiogenesis based on complex reaction networks organized by seed-dependent autocatalytic systems

Zhen Peng, Jeff Linderoth, David Baum

Version 4 posted 21 December 2021

915

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Theoretical and Computational Chemistry

Working Paper

Predictive stochastic analysis of massive filter-based electrochemical reaction networks

Daniel Barter, Evan Walter Clark Spotte-Smith, Nikita S. Redkar, Aniruddh Khanwale, Shyam Dwaraknath, Kristin A. Persson, Samuel M. Blau

Version 4 posted 07 November 2022

1,304

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Organometallic Chemistry

Working Paper

A Chemically Consistent Graph Architecture for Massive Reaction Networks Applied to Solid-Electrolyte Interphase Formation

Samuel Blau, Hetal Patel, Evan Spotte-Smith, Xiaowei Xie, Shyam Dwaraknath, Kristin Persson

Version 1 posted 01 October 2020

655

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Theoretical and Computational Chemistry

Working Paper

Nucleation Mechanisms and Speciation of Metal Oxide Clusters

Enric Petrus, Mireia Segado, Carles Bo

Version 1 posted 13 July 2020

319

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Theoretical and Computational Chemistry

Working Paper

Extended Curtin-Hammett principle: Origin of pathway selection in reversible reaction networks under kinetic control

Satoshi Takahashi, Hirofumi Sato, Shuichi Hiraoka

Version 1 posted 04 April 2023

430

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Chemical Engineering and Industrial Chemistry

Working Paper

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Yan Liu, Yiming Mo, Youwei Cheng

Version 1 posted 08 December 2022

236

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1

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Catalysis

Working Paper

Number of sites based solver for determining coverages from steady-state mean-field micro-kinetic models

Sudarshan Vijay, Hendrik Heenen, Aayush Singh, Karen Chan, Johannes Voss

Version 2 posted 02 June 2023

275

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20 results in Reaction Networks in Keywords: Reaction Networks

Environmental Control Programs the Emergence of Distinct Product Ensembles from Unconstrained Chemical Reaction Networks

Reaction Networks and the Metric Structure of Chemical Space(s)

Revisiting Catalytic Cycles: A Broader View Through the Energy Span Model

A mechanism of abiogenesis based on complex reaction networks organized by seed-dependent autocatalytic systems

Predictive stochastic analysis of massive filter-based electrochemical reaction networks

A Chemically Consistent Graph Architecture for Massive Reaction Networks Applied to Solid-Electrolyte Interphase Formation

Nucleation Mechanisms and Speciation of Metal Oxide Clusters

Extended Curtin-Hammett principle: Origin of pathway selection in reversible reaction networks under kinetic control

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Number of sites based solver for determining coverages from steady-state mean-field micro-kinetic models

20 results in Keywords: Reaction Networks