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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

481

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Chemical Engineering and Industrial Chemistry

Working Paper

Identification of reaction network hypotheses for complex feedstocks from spectroscopic measurements with minimal human intervention

Karthik Srinivasan, Anjana Puliyanda, Vinay Prasad

Version 1 posted 28 February 2024

233

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Catalysis

Working Paper

rNets: A standalone package to visualize reaction networks.

Sergio Pablo-García, Raúl Pérez-Soto, Albert Sabadell-Rendón, Diego Garay-Ruiz, Vladyslav Nosylevskyi, Nuria López

Version 1 posted 03 April 2024

433

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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

262

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1

Citations

Organic Chemistry

Working Paper

Controlling carbodiimide-driven reaction networks through the reversible formation of pyridine adducts

William S. Salvia, Georgia Mantel, Nirob K. Saha, Chamoni W. H. Rajawasam, Dominik Konkolewicz, C. Scott Hartley

Version 2 posted 18 July 2024

400

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Theoretical and Computational Chemistry

Working Paper

Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

Philipp-Maximilian Jacob, Alexei Lapkin

Version 1 posted 10 August 2018

1,481

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2

Citations

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

331

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Analytical Chemistry

Working Paper

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

869

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Physical Chemistry

Working Paper

Thermally Accessible Prebiotic Pathways for Forming RNA and Protein Precursors

Qiyuan Zhao, Sanjay Garimella, Brett Savoie

Version 1 posted 18 October 2022

185

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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

986

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Refine Search

20 results in Reaction networks in Keywords: Reaction networks

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

Identification of reaction network hypotheses for complex feedstocks from spectroscopic measurements with minimal human intervention

rNets: A standalone package to visualize reaction networks.

Uncertainty-calibrated deep learning for rapid identification of reaction mechanisms

Controlling carbodiimide-driven reaction networks through the reversible formation of pyridine adducts

Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

Nucleation Mechanisms and Speciation of Metal Oxide Clusters

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

Thermally Accessible Prebiotic Pathways for Forming RNA and Protein Precursors

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

20 results in Keywords: Reaction networks