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Catalysis

Working Paper

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Andrea N. Bootsma, Steven Wheeler

Version 5 posted 29 July 2019

7,429

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25

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Catalysis

Working Paper

Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di-, and Tri-Hydroxypentanones

Mikael Widersten, Derar Al-Smadi, Thilak Reddy Enugala, Vadim Kessler, Anil Ranu Mhashal, Shina Caroline Lynn Kamerlin, Jan Kihlberg, Thomas Norberg

Version 1 posted 18 March 2019

758

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Theoretical and Computational Chemistry

Working Paper

Holistic Prediction of pKa in Diverse Solvents Based on Machine Learning Approach

Qi Yang, Yao Li, Jin-Dong Yang, Yidi Liu, Long Zhang, Sanzhong Luo, Jin-Pei Cheng

Version 1 posted 04 June 2020

1,479

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Catalysis

Working Paper

2,2’-Dipyridylamine as Heterogeneous Organic Molecular Electrocatalyst for Two-Electron Oxygen Reduction Reaction in Acid Media

Xi Yin, Ling Lin, Ulises Martinez, Piotr Zelenay

Version 1 posted 25 June 2019

732

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Catalysis

Working Paper

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

Xi Yin, Ling Lin, Hoon T. Chung, Ulises Martinez, Andrew M. Baker, Sandipkumar Maurya, Piotr Zelenay

Version 1 posted 18 June 2019

904

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1

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Organic Chemistry

Working Paper

Spectroscopic and Computational Study of Organocatalytic Umpolung of Bromocations: An Accelerated Stereoselective Dibromination Protocol

Jeetendra Panda, Jigyansa Sahoo, Juhi Dutta, Himansu Sekhar Biswal, Gokarneswar Sahoo

Version 1 posted 18 January 2023

199

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Polymer Science

Working Paper

Photochemically Activated Thiol-Michael Reactions via a Photolatent N-Heterocyclic Carbene

Abraham Chemtob, Bao Tram Vu Ngoc, Julien Pinaud, Patrick Lacroix-Desmazes, Valérie Héroguez

Version 1 posted 04 October 2019

877

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Materials Science

Working Paper

A Minimalistic Hydrolase Based on Co-Assembled Cyclic Dipeptides

Alexander Kleinsmann, Boris Nachtsheim

Version 1 posted 01 October 2019

601

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1

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Polymer Science

Working Paper

Rauhut–Currier Polyaddition: Self-Polymerization of Divalent Aryl Vinyl Ketones for Unsaturated Polyketones

Masatoshi Ohyama, Rie Yasuda, Hirotsugu Kuratani, Shinsuke Miyauchi, Yasuhiro Kohsaka

Version 1 posted 25 October 2024

121

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Organic Chemistry

Working Paper

Purely axial-chiral amine-base Bronsted-acid organocatalyst prototypes

Philipp Honegger, Michael Abraham

Version 1 posted 06 December 2023

193

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10 results in organocatalyst in Keywords: organocatalyst

Popular Integration Grids Can Result in Large Errors in DFT-Computed Free Energies

Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di-, and Tri-Hydroxypentanones

Holistic Prediction of pKa in Diverse Solvents Based on Machine Learning Approach

2,2’-Dipyridylamine as Heterogeneous Organic Molecular Electrocatalyst for Two-Electron Oxygen Reduction Reaction in Acid Media

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

Spectroscopic and Computational Study of Organocatalytic Umpolung of Bromocations: An Accelerated Stereoselective Dibromination Protocol

Photochemically Activated Thiol-Michael Reactions via a Photolatent N-Heterocyclic Carbene

A Minimalistic Hydrolase Based on Co-Assembled Cyclic Dipeptides

Rauhut–Currier Polyaddition: Self-Polymerization of Divalent Aryl Vinyl Ketones for Unsaturated Polyketones

Purely axial-chiral amine-base Bronsted-acid organocatalyst prototypes

10 results in Keywords: organocatalyst