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Theoretical and Computational Chemistry

Working Paper

Molecular Doping in Multi-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding

Chuanding Dong, Stefan Schumacher

Version 1 posted 06 May 2020

491

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Energy

Working Paper

Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer

Chuanding Dong, Stefan Schumacher

Version 1 posted 27 June 2019

625

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Polymer Science

Working Paper

A New Look into 4-(2,3-Dihydro-1,3-Dimethyl-1H-Benzimidazol-2-Yl)-N,N-Dimethylbenzenamine (DMBI-H) N-Type Dopant: Not so Stable After All, but It Does Not Necessarily Matter

Francesca Pallini, Sara Mattiello, Marco Cassinelli, Pietro Rossi, Sara Mecca, Mauro Sassi, Guglielmo Lanzani, Mario Caironi, Luca Beverina

Version 1 posted 05 May 2021

556

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Biological and Medicinal Chemistry

Working Paper

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

Ioan Baldea

Version 1 posted 29 July 2022

121

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Physical Chemistry

Working Paper

Fluorophore Concentration Controls the Homo-FRET Efficiency and Directionality across Proteins both in Solution and in Solid Protein Matrices

Yuval Agam, Ambili Ramanthrikkovil Variyam, Nadav Amdursky

Version 1 posted 23 April 2024

146

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Materials Science

Working Paper

Stable open-shell aromatic nitric acid radicals: accessing highly efficient photothermal conversion with restricted radiative decay

zejun wang, Zhou Jiawen, Yiheng Zhang, Weiya Zhu, Yuan Li

Version 1 posted 11 October 2021

259

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Energy

Working Paper

Polycycloalkanes at the Helm: Exploring eFuel with Norbornyl Derivatives

Feng Wang, Delano P Chong

Version 1 posted 20 May 2024

120

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Theoretical and Computational Chemistry

Working Paper

Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled

Ioan Baldea

Version 1 posted 24 August 2022

206

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Theoretical and Computational Chemistry

Working Paper

The role of asymmetry on the photoisomerization of dithienylethene molecule photoswitch

Edison Salazar, Suzanne Reinink, Shirin Faraji

Version 1 posted 10 March 2022

265

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Theoretical and Computational Chemistry

Working Paper

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

Archita Adluri, Brett Henderson, Irina Paci

Version 1 posted 20 September 2021

193

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Refine Search

13 results in Molecular Doping, organic semiconductor, quantum chemistry in Keywords: Molecular Doping, organic semiconductor, quantum chemistry

Molecular Doping in Multi-Molecule Polymer-Dopant Complexes Shows Reduced Coulomb Binding

Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer

A New Look into 4-(2,3-Dihydro-1,3-Dimethyl-1H-Benzimidazol-2-Yl)-N,N-Dimethylbenzenamine (DMBI-H) N-Type Dopant: Not so Stable After All, but It Does Not Necessarily Matter

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

Fluorophore Concentration Controls the Homo-FRET Efficiency and Directionality across Proteins both in Solution and in Solid Protein Matrices

Stable open-shell aromatic nitric acid radicals: accessing highly efficient photothermal conversion with restricted radiative decay

Polycycloalkanes at the Helm: Exploring eFuel with Norbornyl Derivatives

Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled

The role of asymmetry on the photoisomerization of dithienylethene molecule photoswitch

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

13 results in Keywords: Molecular Doping, organic semiconductor, quantum chemistry