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Organometallic Chemistry

Working Paper

Effect of Photolysis on Zirconium Amino Phenoxides for the Hydrophosphination of Alkenes: Improving Catalysis

Bryan Novas, Jacob Morris, Matthew Liptak, Rory Waterman

Version 1 posted 01 December 2021

147

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Theoretical and Computational Chemistry

Working Paper

Can we predict ambident regioselectivity using the chemical hardness?

Ramon Miranda-Quintana, Alberto Vela, Frank De Proft, Jose L Gazquez

Version 1 posted 27 February 2023

235

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Theoretical and Computational Chemistry

Working Paper

Effect of Stacking Interactions on Charge Transfer States in Photoswitches Interacting with Ion Channels

Vito Federico Palmisano, Shirin Faraji, Juan Jose Nogueira

Version 1 posted 14 October 2022

139

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Materials Chemistry

Working Paper

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Diego Cortés-Arriagada

Version 1 posted 01 September 2021

203

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Analytical Chemistry

Working Paper

Why PEDOT:PSS Should Not Be Used for Raman Sensing of Redox States (and How It Could Be)

Ivano Alessandri, Fabrizio Torricelli, Beatrice Cerea, Michele Speziani, Paolo Romele, Irene Vassalini

Version 1 posted 21 September 2022

215

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Polymer Science

Working Paper

Tailored Charge Transfer Kinetics in Organic Radical Batteries – A Joint Synthetic-Theoretical Approach

Clara Zens, Christian Friebe, Ulrich S. Schubert, Martin Richter, Stephan Kupfer

Version 1 posted 01 September 2022

202

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Ab Initio Effective One-Electron Potential Operators:Applications for Charge-Transfer Energy in Effective Fragment Potentials

Bartosz Blasiak, Joanna D. Bednarska, Marta Chołuj, Robert Góra, Wojciech Bartkowiak

Version 1 posted 16 November 2020

302

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Energy

Working Paper

Dibenzo-Tetraphenyl Diindeno as Hole Transport Layer for Perovskite Solar Cells Fabrication

Meenakshi Pegu, Laura Calio, Mehrad Ahmadpour, Horst-Günter Rubahn, Samrana Kazim, Morten Madsen, Shahzada Ahmad

Version 1 posted 09 March 2020

678

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Bowen Han, Christine Isborn, Liang Shi

Version 1 posted 19 October 2020

438

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Physical Chemistry

Working Paper

Orbital-Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π∙∙∙π and Reverse Electron Lone Pairs∙∙∙π Interactions

Sergey A. Shteingolts, Adam I. Stash, Vladimir G. Tsirelson, Robert R. Fayzullin

Version 1 posted 31 December 2020

394

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82 results in Charge transfer in Keywords: Charge transfer

Effect of Photolysis on Zirconium Amino Phenoxides for the Hydrophosphination of Alkenes: Improving Catalysis

Can we predict ambident regioselectivity using the chemical hardness?

Effect of Stacking Interactions on Charge Transfer States in Photoswitches Interacting with Ion Channels

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Why PEDOT:PSS Should Not Be Used for Raman Sensing of Redox States (and How It Could Be)

Tailored Charge Transfer Kinetics in Organic Radical Batteries – A Joint Synthetic-Theoretical Approach

Ab Initio Effective One-Electron Potential Operators:Applications for Charge-Transfer Energy in Effective Fragment Potentials

Dibenzo-Tetraphenyl Diindeno as Hole Transport Layer for Perovskite Solar Cells Fabrication

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Orbital-Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π∙∙∙π and Reverse Electron Lone Pairs∙∙∙π Interactions

82 results in Keywords: Charge transfer