Year |
Citation |
Score |
2021 |
Robinson D, Alarfaji SS, Hirst JD. Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S ← S Transitions. The Journal of Physical Chemistry. A. PMID 34132093 DOI: 10.1021/acs.jpca.1c01685 |
0.483 |
|
2020 |
Winslow M, Cross WB, Robinson D. A Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2. Journal of Chemical Theory and Computation. PMID 32302484 DOI: 10.1021/Acs.Jctc.9B00917 |
0.326 |
|
2018 |
Robinson D. Comparison of the Transition Dipole Moments Calculated by TDDFT with High Level Wavefunction Theory. Journal of Chemical Theory and Computation. PMID 30068079 DOI: 10.1021/Acs.Jctc.8B00335 |
0.35 |
|
2017 |
Shaw DJ, Hill RE, Simpson N, Husseini FS, Robb K, Greetham GM, Towrie M, Parker AW, Robinson D, Hirst JD, Hoskisson PA, Hunt NT. Examining the role of protein structural dynamics in drug resistance in. Chemical Science. 8: 8384-8399. PMID 29619185 DOI: 10.1039/C7Sc03336B |
0.514 |
|
2016 |
Husseini FS, Robinson D, Hunt NT, Parker AW, Hirst JD. Computing infrared spectra of proteins using the exciton model. Journal of Computational Chemistry. PMID 27868210 DOI: 10.1002/Jcc.24674 |
0.537 |
|
2016 |
Hurd CA, Besley NA, Robinson D. A QM/MM study of the nature of the entatic state in plastocyanin. Journal of Computational Chemistry. PMID 27859435 DOI: 10.1002/Jcc.24666 |
0.307 |
|
2015 |
Li Z, Robinson D, Hirst JD. Vibronic structure in the far-UV electronic circular dichroism spectra of proteins. Faraday Discussions. 177: 329-44. PMID 25607609 DOI: 10.1039/C4Fd00163J |
0.549 |
|
2014 |
Robinson D. Accurate Excited State Geometries within Reduced Subspace TDDFT/TDA. Journal of Chemical Theory and Computation. 10: 5346-52. PMID 26583218 DOI: 10.1021/Ct500687J |
0.324 |
|
2013 |
Robinson D. Splitting multiple bonds: a comparison of methodologies on the accuracy of bond dissociation energies. Journal of Computational Chemistry. 34: 2625-34. PMID 24037810 DOI: 10.1002/Jcc.23433 |
0.31 |
|
2013 |
Briggs EA, Besley NA, Robinson D. QM/MM excited state molecular dynamics and fluorescence spectroscopy of BODIPY. The Journal of Physical Chemistry. A. 117: 2644-50. PMID 23461546 DOI: 10.1021/Jp312229B |
0.339 |
|
2011 |
Robinson D, Besley NA, O'Shea P, Hirst JD. Water order profiles on phospholipid/cholesterol membrane bilayer surfaces. Journal of Computational Chemistry. 32: 2613-8. PMID 21633961 DOI: 10.1002/Jcc.21840 |
0.509 |
|
2011 |
Robinson D, Besley NA, O'Shea P, Hirst JD. Di-8-ANEPPS emission spectra in phospholipid/cholesterol membranes: a theoretical study. The Journal of Physical Chemistry. B. 115: 4160-7. PMID 21425824 DOI: 10.1021/Jp1111372 |
0.547 |
|
2011 |
Besley NA, Robinson D. Theoretical simulation of the spectroscopy and dynamics of a red copper protein. Faraday Discussions. 148: 55-70; discussion 97. PMID 21322477 DOI: 10.1039/C004231E |
0.32 |
|
2010 |
Robinson D, Besley NA. Modelling the spectroscopy and dynamics of plastocyanin. Physical Chemistry Chemical Physics : Pccp. 12: 9667-76. PMID 20532328 DOI: 10.1039/C001805H |
0.329 |
|
2009 |
Robinson D, Besley NA, O'Shea P, Hirst JD. Calculating the fluorescence of 5-hydroxytryptophan in proteins. The Journal of Physical Chemistry. B. 113: 14521-8. PMID 19795822 DOI: 10.1021/Jp9071108 |
0.559 |
|
2009 |
Robinson D, Besley NA, Lunt EA, O'Shea P, Hirst JD. Electronic structure of 5-hydroxyindole: from gas phase to explicit solvation. The Journal of Physical Chemistry. B. 113: 2535-41. PMID 19195993 DOI: 10.1021/Jp808943D |
0.552 |
|
2008 |
Jayapal P, Robinson D, Sundararajan M, Hillier IH, McDouall JJ. High level ab initio and DFT calculations of models of the catalytically active Ni-Fe hydrogenases. Physical Chemistry Chemical Physics : Pccp. 10: 1734-8. PMID 18350177 DOI: 10.1039/B719980E |
0.635 |
|
2007 |
Robinson D, McDouall JJ. CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree-Fock or Kohn-Sham Orbitals. Journal of Chemical Theory and Computation. 3: 1306-11. PMID 26633204 DOI: 10.1021/Ct700037Z |
0.648 |
|
2007 |
Robinson D, McDouall JJ. Simplified reference wave functions for multireference perturbation theory. The Journal of Physical Chemistry. A. 111: 9815-22. PMID 17727273 DOI: 10.1021/Jp071641K |
0.652 |
|
2006 |
Robinson D, McDouall JJW. Multireference perturbation theory applied to multiconfigurational problems: is the CASSCF step necessary? Molecular Physics. 104: 681-690. DOI: 10.1080/00268970500417952 |
0.336 |
|
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