Publications by authors named "Bo Durbeej"

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Achieving one-step molecular photogearing in a minimal light-driven molecular motor.
Enrique M Arpa, Bo Durbeej

Chem Sci· October 2025

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Simulating the Energy Capture Process in Push-Pull Norbornadiene-Quadricyclane Photoswitches.
Michał Andrzej Kochman, Bo Durbeej

J Phys Chem Lett· May 2025

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HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity.
Enrique M Arpa, Sven Stafström, Bo Durbeej

J Org Chem· January 2025

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Investigating Excited States and Absorption Spectra of the Poly-cyclopenta-dithiophene-benzothiadiazole Oligomers (Poly-CPDTBT)-A Theoretical Study.
Jun Wang, Yuting Huang, Yajing Wang, Bo Durbeej, Lluís Blancafort

Molecules· November 2024

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Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?
Enrique M Arpa, Sven Stafström, Bo Durbeej

Phys Chem Chem Phys· April 2024

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Correction to "Iterative Dual-Metal and Energy Transfer Catalysis Enables Stereodivergence in Alkyne Difunctionalization: Carboboration as Case Study".
Javier Corpas, Miguel Gomez-Mendoza, Enrique M Arpa, Víctor A de la Peña O'Shea, Bo Durbeej

ACS Catal· February 2024

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A Proof-of-Principle Design for Through-Space Transmission of Unidirectional Rotary Motion by Molecular Photogears.
Enrique M Arpa, Sven Stafström, Bo Durbeej

Chemistry· January 2024

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Salicylideneaniline/Dithienylethene Hybrid Molecular Switches: Design, Synthesis, and Photochromism.
Péter Pál Kalapos, Attila Kunfi, Marcell M Bogner, Tamás Holczbauer, Michał Andrzej Kochman, Bo Durbeej

J Org Chem· January 2024

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Iterative Dual-Metal and Energy Transfer Catalysis Enables Stereodivergence in Alkyne Difunctionalization: Carboboration as Case Study.
Javier Corpas, Miguel Gomez-Mendoza, Enrique M Arpa, Víctor A de la Peña O'Shea, Bo Durbeej

ACS Catal· November 2023

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HOMER: a reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states.
Enrique M Arpa, Bo Durbeej

Phys Chem Chem Phys· June 2023

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Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the π-Linker.
Baswanth Oruganti, Jun Wang, Bo Durbeej

J Org Chem· September 2022

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Photoswitching of Local (Anti)Aromaticity in Biphenylene-Based Diarylethene Molecular Switches.
Péter Pál Kalapos, Péter J Mayer, Tamás Gazdag, Attila Demeter, Baswanth Oruganti, Bo Durbeej

J Org Chem· August 2022

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Simulation and analysis of the relaxation dynamics of a photochromic furylfulgide.
Michał Andrzej Kochman, Tomasz Gryber, Bo Durbeej, Adam Kubas

Phys Chem Chem Phys· August 2022

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Transient changes in aromaticity and their effect on excited-state proton transfer reactions.
Enrique M Arpa, Bo Durbeej

Phys Chem Chem Phys· May 2022

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Simulation and Analysis of the Transient Absorption Spectrum of 4-(,-Dimethylamino)benzonitrile (DMABN) in Acetonitrile.
Michał Andrzej Kochman, Bo Durbeej, Adam Kubas

J Phys Chem A· October 2021

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Computational Comparison of Chemical and Isotopic Approaches to Control the Photoisomerization Dynamics of Light-Driven Molecular Motors.
Jun Wang, Baswanth Oruganti, Bo Durbeej

J Org Chem· April 2021

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Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis.
Jun Wang, Baswanth Oruganti, Bo Durbeej

Org Lett· September 2020

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Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches.
Baswanth Oruganti, Péter Pál Kalapos, Varada Bhargav, Gábor London, Bo Durbeej

J Am Chem Soc· August 2020

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How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?
Jun Wang, Bo Durbeej

J Comput Chem· July 2020

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Simulating the Nonadiabatic Relaxation Dynamics of 4-(,-Dimethylamino)benzonitrile (DMABN) in Polar Solution.
Michał Andrzej Kochman, Bo Durbeej

J Phys Chem A· March 2020

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Calculation of Free-Energy Barriers with TD-DFT: A Case Study on Excited-State Proton Transfer in Indigo.
Changfeng Fang, Bo Durbeej

J Phys Chem A· October 2019

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Theoretical Study of Ground- and Excited-State Charge Transfer in Fulvene-Based Donor-Acceptor Systems.
Michał Andrzej Kochman, Bo Durbeej

J Phys Chem A· August 2019

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Intramolecular Proton and Charge Transfer of Pyrene-based trans-Stilbene Salicylic Acids Applied to Detection of Aggregated Proteins.
Jun Zhang, Jun Wang, Alexander Sandberg, Xiongyu Wu, Sofie Nyström, Bo Durbeej

Chemphyschem· November 2018

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Molecular Photoswitching Aided by Excited-State Aromaticity.
Bo Durbeej, Jun Wang, Baswanth Oruganti

Chempluschem· November 2018

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Toward Fast and Efficient Visible-Light-Driven Molecular Motors: A Minimal Design.
Jun Wang, Bo Durbeej

ChemistryOpen· August 2018

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