List of works - Bo Durbeej

Anabaena sensory rhodopsin is a light-driven unidirectional rotor

scientific article

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

scientific article published on 25 September 2019

Computational Insight to Improve the Thermal Isomerisation Performance of Overcrowded Alkene-Based Molecular Motors through Structural Redesign

scientific article published on 23 August 2016

Distinguishing between keto-enol and acid-base forms of firefly oxyluciferin through calculation of excited-state equilibrium constants.

scientific article published on 16 September 2014

Electron-transfer induced repair of 6-4 photoproducts in DNA: a computational study

scientific article published on 07 March 2007

Excited-State Aromaticity Improves Molecular Motors: A Computational Analysis

scientific article published on 25 August 2017

Excited-state modeling of the astaxanthin dimer predicts a minor contribution from exciton coupling to the bathochromic shift in crustacyanin.

scientific article published in April 2009

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

scientific article published on 23 April 2020

How method-dependent are calculated differences between vertical, adiabatic, and 0-0 excitation energies?

scientific article published on 03 June 2014

Initial excited-state relaxation of the bilin chromophores of phytochromes: a computational study.

scientific article published on 21 January 2011

Inter-Excited-State Phosphorescence in the Four-Component Relativistic Kohn-Sham Approximation: A Case Study on Lumiflavin

scientific article published on 13 November 2015

Intramolecular Proton and Charge Transfer of Pyrene-based trans-Stilbene Salicylic Acids Applied to Detection of Aggregated Proteins

scientific article published on 08 October 2018

Light-driven rotary molecular motors without point chirality: a minimal design.

scientific article published on 27 February 2017

Modeling of phytochrome absorption spectra.

scientific article

Molecular Photoswitching Aided by Excited-State Aromaticity

scientific article published on 30 August 2018

On the importance of ribose orientation in the substrate activation of the coenzyme B12-dependent mutases.

scientific article published in August 2009

On the origin and variation of colors in lobster carapace

scientific article published on June 2015

Photodegradation of substituted stilbene compounds: what colors aging paper yellow?

scientific article published in June 2005

Protein-bound chromophores astaxanthin and phytochromobilin: excited state quantum chemical studies.

scientific article published on 2 August 2006

Quantum chemical comparison of vertical, adiabatic, and 0-0 excitation energies: the PYP and GFP chromophores.

scientific article published on 28 May 2012

Relative ground and excited-state pKa values of phytochromobilin in the photoactivation of phytochrome: a computational study.

scientific article published on 11 September 2007

Simulating the Nonadiabatic Relaxation Dynamics of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Polar Solution

scientific article published on 06 March 2020

Steric Effects Govern the Photoactivation of Phytochromes

scientific article published on 12 January 2016

The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions.

scientific article published on 6 January 2012

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

scientific article published on 25 July 2019

Toward Fast and Efficient Visible-Light-Driven Molecular Motors: A Minimal Design

scholarly article by Jun Wang & Bo Durbeej published August 2018 in ChemistryOpen

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

scientific article published on 21 August 2020

Which factors determine the acidity of the phytochromobilin chromophore of plant phytochrome?

scientific article published on 14 March 2008

List of works by Bo Durbeej