Bo Durbeej

Affiliations
  • Division of Theoretical Chemistry, IFM, Linköping University, Linköping, Sweden.
ORCID: https://orcid.org/0000-0001-5847-1196

Publications (18)

How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?

Journal of computational chemistry
Avec: Jun Wang , Bo Durbeej

Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches.

Journal of the American Chemical Society
Avec: Baswanth Oruganti , Péter Pál Kalapos , Varada Bhargav , Gábor London , Bo Durbeej

Correction to "Iterative Dual-Metal and Energy Transfer Catalysis Enables Stereodivergence in Alkyne Difunctionalization: Carboboration as Case Study".

ACS catalysis
Avec: Javier Corpas , Miguel Gomez-Mendoza , Enrique M Arpa , Víctor A de la Peña O'Shea , Bo Durbeej , Juan C Carretero , Pablo Mauleón , Ramón Gómez Arrayás

Photoswitching of Local (Anti)Aromaticity in Biphenylene-Based Diarylethene Molecular Switches.

The Journal of organic chemistry
Avec: Péter Pál Kalapos , Péter J Mayer , Tamás Gazdag , Attila Demeter , Baswanth Oruganti , Bo Durbeej , Gábor London

A Proof-of-Principle Design for Through-Space Transmission of Unidirectional Rotary Motion by Molecular Photogears.

Chemistry (Weinheim an der Bergstrasse, Germany)
Avec: Enrique M Arpa , Sven Stafström , Bo Durbeej

Computational Comparison of Chemical and Isotopic Approaches to Control the Photoisomerization Dynamics of Light-Driven Molecular Motors.

The Journal of organic chemistry
Avec: Jun Wang , Baswanth Oruganti , Bo Durbeej

HOMER: a reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states.

Physical chemistry chemical physics : PCCP
Avec: Enrique M Arpa , Bo Durbeej

Simulating the Nonadiabatic Relaxation Dynamics of 4-(

The journal of physical chemistry. A
Avec: Michał Andrzej Kochman , Bo Durbeej

Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the π-Linker.

The Journal of organic chemistry
Avec: Baswanth Oruganti , Jun Wang , Bo Durbeej

Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?

Physical chemistry chemical physics : PCCP
Avec: Enrique M Arpa , Sven Stafström , Bo Durbeej

Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis.

Organic letters
Avec: Jun Wang , Baswanth Oruganti , Bo Durbeej

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

The journal of physical chemistry. A
Avec: Changfeng Fang , Bo Durbeej

Theoretical Study of Ground- and Excited-State Charge Transfer in Fulvene-Based Donor-Acceptor Systems.

The journal of physical chemistry. A
Avec: Michał Andrzej Kochman , Bo Durbeej

Simulation and Analysis of the Transient Absorption Spectrum of 4-(

The journal of physical chemistry. A
Avec: Michał Andrzej Kochman , Bo Durbeej , Adam Kubas

Transient changes in aromaticity and their effect on excited-state proton transfer reactions.

Physical chemistry chemical physics : PCCP
Avec: Enrique M Arpa , Bo Durbeej

Salicylideneaniline/Dithienylethene Hybrid Molecular Switches: Design, Synthesis, and Photochromism.

The Journal of organic chemistry
Avec: Péter Pál Kalapos , Attila Kunfi , Marcell M Bogner , Tamás Holczbauer , Michał Andrzej Kochman , Bo Durbeej , Gábor London

Iterative Dual-Metal and Energy Transfer Catalysis Enables Stereodivergence in Alkyne Difunctionalization: Carboboration as Case Study.

ACS catalysis
Avec: Javier Corpas , Miguel Gomez-Mendoza , Enrique M Arpa , Víctor A de la Peña O'Shea , Bo Durbeej , Juan C Carretero , Pablo Mauleón , Ramón Gómez Arrayás

Simulation and analysis of the relaxation dynamics of a photochromic furylfulgide.

Physical chemistry chemical physics : PCCP
Avec: Michał Andrzej Kochman , Tomasz Gryber , Bo Durbeej , Adam Kubas

Réseau de co-auteurs

Enrique M Arpa 6 collaborations
Baswanth Oruganti 5 collaborations
Michał Andrzej Kochman 5 collaborations
Jun Wang 4 collaborations
Péter Pál Kalapos 3 collaborations
Gábor London 3 collaborations
Javier Corpas 2 collaborations
Miguel Gomez-Mendoza 2 collaborations
Víctor A de la Peña O'Shea 2 collaborations
Juan C Carretero 2 collaborations
Pablo Mauleón 2 collaborations
Ramón Gómez Arrayás 2 collaborations
Sven Stafström 2 collaborations
Adam Kubas 2 collaborations
Varada Bhargav 1 collaboration
Péter J Mayer 1 collaboration
Tamás Gazdag 1 collaboration
Attila Demeter 1 collaboration
Changfeng Fang 1 collaboration
Attila Kunfi 1 collaboration
Marcell M Bogner 1 collaboration
Tamás Holczbauer 1 collaboration
Tomasz Gryber 1 collaboration