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Theoretical and Computational Chemistry

Working Paper

Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application

Ethan F. Bull-Vulpe, Marc Riera, Sigbjørn L. Bore, Francesco Paesani

Version 1 posted 22 June 2022

363

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Organic Chemistry

Working Paper

Synthesis of Stable Neutral Homoaromatic Hydrocarbons

Trung Tran Ngoc, Jasper van der Welle, Tobias Rüffer, Teichert Johannes

Version 1 posted 28 April 2023

507

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Organic Chemistry

Working Paper

Coronene: A High-Voltage Anion De-insertion Cathode for Potassium-Ion Battery

Minami Kato, Titus Masese, Kazuki Yoshii

Version 2 posted 08 December 2020

561

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Catalysis

Working Paper

Copper-Catalyzed Direct Alkylation of Perfluoroarenes with Hydrocarbons

Weilong Xie, Joon Heo, Dongwook Kim, Sukbok Chang

Version 1 posted 26 December 2019

837

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Chemical Engineering and Industrial Chemistry

Working Paper

Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials

Nicholas Corrente, Elizabeth Hinks, Aastha Kasera, Raleigh Gough, Peter Ravikovitch, Alexander Neimark

Version 1 posted 26 May 2022

335

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Catalysis

Working Paper

Facile Polyolefin Plastics Hydrogenolysis Catalyzed by a Surface Electrophilic d0 Hydride

Alexander H. Mason, Alessandro Motta, Anusheela Das, Qing Ma, Michael J. Bedzyk, Yosi Kratish, Tobin Marks

Version 1 posted 06 December 2021

666

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3

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Organic Chemistry

Working Paper

Applicability of Baird’s Rule for In-Plane Aromaticity

Yui Masumoto, Naoyuki Toriumi, Taisei Osawa, Atsuya Muranaka, Eiichi Kayahara, Shigeru Yamago, Mamoru Fujitsuka, Tetsuro Majima, Masanobu Uchiyama

Version 1 posted 02 June 2021

523

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Organic Chemistry

Working Paper

Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity

Felix Plasser, Florian Glöcklhofer

Version 2 posted 01 February 2021

691

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Catalysis

Working Paper

Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst

Fatima Mahnaz, Jasan Mangalindan, Jenna Vito, Yu-Ting Lin, Mustafa Akbulut, Manish Shetty

Version 1 posted 21 July 2023

247

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Refine Search

9 results in hydrocarbons in Keywords: hydrocarbons

Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application

Synthesis of Stable Neutral Homoaromatic Hydrocarbons

Coronene: A High-Voltage Anion De-insertion Cathode for Potassium-Ion Battery

Copper-Catalyzed Direct Alkylation of Perfluoroarenes with Hydrocarbons

Modeling Hydrocarbons Adsorption in Amorphous Nanoporous Carbonaceous Materials

Facile Polyolefin Plastics Hydrogenolysis Catalyzed by a Surface Electrophilic d0 Hydride

Applicability of Baird’s Rule for In-Plane Aromaticity

Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity

Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst

9 results in Keywords: hydrocarbons