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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

472

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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

606

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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

96

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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

237

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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

175

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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

237

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Materials Chemistry

Working Paper

Unusual selective monitoring of N,N-dimethylformamide in a two-dimensional layered field-effect transistor

Akito Fukui, Keigo Matsuyama, Hiroaki Onoe, Shun Itai, Hidekazu Ikeno, Shunsuke Hiraoka, Kousei Hiura, Yuh Hijikata, Jenny Pirillo, Takahiro Nagata, Kuniharu Takei, Takeshi Yoshimura, Norifumi Fujimura, Daisuke Kiriya

Version 1 posted 31 January 2023

219

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1

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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

492

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Biological and Medicinal Chemistry

Working Paper

Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development

Ioan Baldea

Version 1 posted 12 April 2023

95

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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

170

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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

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

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

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

The role of asymmetry on the photoisomerization of dithienylethene molecule photoswitch

Unusual selective monitoring of N,N-dimethylformamide in a two-dimensional layered field-effect transistor

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

Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development

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

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