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List of works by David Robinson

A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules

scientific article

A Polarizable Force-Field for Cholesterol and Sphingomyelin

scientific article published on 17 April 2013

A QM/MM study of the nature of the entatic state in plastocyanin

scientific article published on 14 November 2016

A Simple Approach to the Visible-Light Photoactivation of Molecular Metal Oxides

scientific article

An octahedral tetrachlorido Fe(ii) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures

scientific article published on 01 June 2018

CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree-Fock or Kohn-Sham Orbitals

scientific article published on 01 July 2007

Calculating the fluorescence of 5-hydroxytryptophan in proteins.

scientific article

Comparison of the Transition Dipole Moments Calculated by TDDFT with High Level Wave Function Theory

scientific article published on 10 September 2018

Computing infrared spectra of proteins using the exciton model

scientific article

Di-8-ANEPPS emission spectra in phospholipid/cholesterol membranes: a theoretical study

scientific article published on 22 March 2011

Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group

scientific article published in 2016

Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis

scientific article published on 16 October 2017

High level ab initio and DFT calculations of models of the catalytically active Ni-Fe hydrogenases

scientific article

Modelling the spectroscopy and dynamics of plastocyanin

scientific article published on 8 June 2010

Orbital Engineering: Photoactivation of an Organofunctionalized Polyoxotungstate

scientific article published in November 2016

QM/MM excited state molecular dynamics and fluorescence spectroscopy of BODIPY.

scientific article

QM/MM studies of contemporary and novel membrane raft fluorescent probes

scientific article published on 15 July 2014

Selective reduction and homologation of carbon monoxide by organometallic iron complexes

scientific article published in Nature Communications

Simplified reference wave functions for multireference perturbation theory.

scientific article

Splitting multiple bonds: a comparison of methodologies on the accuracy of bond dissociation energies

scientific article published on 13 September 2013

Synthesis and Spectroscopy of Benzylamine-Substituted BODIPYs for Bioimaging

Synthesis of Oxadiazol-5-imines via the Cyclizative Capture of in Situ Generated Cyanamide Ions and Nitrile Oxides

scientific article published on 18 February 2016

Theoretical simulation of the spectroscopy and dynamics of a red copper protein ⬇️

scientific article published on January 1, 2011

Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes

scientific article published in 2015

Water order profiles on phospholipid/cholesterol membrane bilayer surfaces

scientific article published on 01 June 2011

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