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New approaches to study excited states in density functional theory: general discussion.
Faraday Discuss. 2020 Dec 4;224(0):483-508. doi: 10.1039/D0FD90026E.
Faraday Discuss. 2020.
PMID: 33245076
No abstract available.
Challenges for large scale simulation: general discussion.
Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, Mulay MR, Neugebauer J, Pernal K, Pribram-Jones A, Romaniello P, Ryder MR, Savin A, Sirbu D, Skylaris CK, Truhlar DG, Wetherell J, Yang W.
Brandenburg JG, et al. Among authors: gowland d.
Faraday Discuss. 2020 Dec 4;224(0):309-332. doi: 10.1039/D0FD90024A.
Faraday Discuss. 2020.
PMID: 33227116
No abstract available.
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Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue.
Abou Taka A, Lu SY, Gowland D, Zuehlsdorff TJ, Corzo HH, Pribram-Jones A, Shi L, Hratchian HP, Isborn CM.
Abou Taka A, et al. Among authors: gowland d.
J Chem Theory Comput. 2022 May 10;18(5):3039-3051. doi: 10.1021/acs.jctc.1c01127. Epub 2022 Apr 26.
J Chem Theory Comput. 2022.
PMID: 35472264
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Influence of non-adiabatic effects on linear absorption spectra in the condensed phase: Methylene blue.
Dunnett AJ, Gowland D, Isborn CM, Chin AW, Zuehlsdorff TJ.
Dunnett AJ, et al. Among authors: gowland d.
J Chem Phys. 2021 Oct 14;155(14):144112. doi: 10.1063/5.0062950.
J Chem Phys. 2021.
PMID: 34654312
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Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case.
Valentini C, Gowland D, Bezzu CG, Romito D, Demitri N, Bonini N, Bonifazi D.
Valentini C, et al. Among authors: gowland d.
Chem Sci. 2022 May 12;13(21):6335-6347. doi: 10.1039/d2sc01038k. eCollection 2022 Jun 1.
Chem Sci. 2022.
PMID: 35733908
Free PMC article.
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Laurdan and Di-4-ANEPPDHQ Influence the Properties of Lipid Membranes: A Classical Molecular Dynamics and Fluorescence Study.
Suhaj A, Gowland D, Bonini N, Owen DM, Lorenz CD.
Suhaj A, et al. Among authors: gowland d.
J Phys Chem B. 2020 Dec 17;124(50):11419-11430. doi: 10.1021/acs.jpcb.0c09496. Epub 2020 Dec 4.
J Phys Chem B. 2020.
PMID: 33275430
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Mortality Associated with Bushfire Smoke Inhalation in a Captive Population of the Smoky Mouse (Pseudomys fumeus), a Threatened Australian Rodent.
Peters A, Hume S, Raidal S, Crawley L, Gowland D.
Peters A, et al. Among authors: gowland d.
J Wildl Dis. 2021 Jan 6;57(1):199-204. doi: 10.7589/JWD-D-20-00026.
J Wildl Dis. 2021.
PMID: 33635997
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