Hirst JD - Search Results

1

Electronic structure of 5-hydroxyindole: from gas phase to explicit solvation.

Robinson D, Besley NA, Lunt EA, O'Shea P, Hirst JD. Robinson D, et al. Among authors: hirst jd. J Phys Chem B. 2009 Feb 26;113(8):2535-41. doi: 10.1021/jp808943d. J Phys Chem B. 2009. PMID: 19195993

2

A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

Besley NA, Oakley MT, Cowan AJ, Hirst JD. Besley NA, et al. Among authors: hirst jd. J Am Chem Soc. 2004 Oct 20;126(41):13502-11. doi: 10.1021/ja047603l. J Am Chem Soc. 2004. PMID: 15479106

3

First-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.

Oakley MT, Bulheller BM, Hirst JD. Oakley MT, et al. Among authors: hirst jd. Chirality. 2006 May 15;18(5):340-7. doi: 10.1002/chir.20264. Chirality. 2006. PMID: 16557524 Review.

4

Modeling the absorption spectrum of tryptophan in proteins.

Rogers DM, Besley NA, O'Shea P, Hirst JD. Rogers DM, et al. Among authors: hirst jd. J Phys Chem B. 2005 Dec 8;109(48):23061-9. doi: 10.1021/jp053309j. J Phys Chem B. 2005. PMID: 16854004

5

Calculations on the electronic excited states of ureas and oligoureas.

Oakley MT, Guichard G, Hirst JD. Oakley MT, et al. Among authors: hirst jd. J Phys Chem B. 2007 Mar 29;111(12):3274-9. doi: 10.1021/jp067890a. Epub 2007 Mar 3. J Phys Chem B. 2007. PMID: 17388455

6

Charge-transfer transitions in the vacuum-ultraviolet of protein circular dichroism spectra.

Bulheller BM, Miles AJ, Wallace BA, Hirst JD. Bulheller BM, et al. Among authors: hirst jd. J Phys Chem B. 2008 Feb 14;112(6):1866-74. doi: 10.1021/jp077462k. Epub 2008 Jan 17. J Phys Chem B. 2008. PMID: 18198861 Free article.

7

Electronic structure and circular dichroism spectroscopy of naphthalenediimide nanotubes.

Bulheller BM, Pantoş GD, Sanders JK, Hirst JD. Bulheller BM, et al. Among authors: hirst jd. Phys Chem Chem Phys. 2009 Aug 7;11(29):6060-5. doi: 10.1039/b905187b. Epub 2009 May 15. Phys Chem Chem Phys. 2009. PMID: 19606314

8

Calculating the fluorescence of 5-hydroxytryptophan in proteins.

Robinson D, Besley NA, O'Shea P, Hirst JD. Robinson D, et al. Among authors: hirst jd. J Phys Chem B. 2009 Oct 29;113(43):14521-8. doi: 10.1021/jp9071108. J Phys Chem B. 2009. PMID: 19795822

9

Gibbs ensemble Monte Carlo simulations of binary mixtures of methane, difluoromethane, and carbon dioxide.

Do H, Wheatley RJ, Hirst JD. Do H, et al. Among authors: hirst jd. J Phys Chem B. 2010 Mar 25;114(11):3879-86. doi: 10.1021/jp909769c. J Phys Chem B. 2010. PMID: 20184300

10

Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: combined QM and MM simulations.

Jiang J, Abramavicius D, Bulheller BM, Hirst JD, Mukamel S. Jiang J, et al. Among authors: hirst jd. J Phys Chem B. 2010 Jun 24;114(24):8270-7. doi: 10.1021/jp101980a. J Phys Chem B. 2010. PMID: 20503991 Free PMC article.

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