Jayatilaka D - Search Results

1

The electron localizability indicator from X-ray diffraction data--a first application to a series of epoxide derivatives.

Grabowsky S, Jayatilaka D, Mebs S, Luger P. Grabowsky S, et al. Among authors: jayatilaka d. Chemistry. 2010 Nov 15;16(43):12818-21. doi: 10.1002/chem.201002061. Chemistry. 2010. PMID: 20886478 No abstract available.

2

Reactivity differences between α,β-unsaturated carbonyls and hydrazones investigated by experimental and theoretical electron density and electron localizability analyses.

Grabowsky S, Weber M, Jayatilaka D, Chen YS, Grabowski MT, Brehme R, Hesse M, Schirmeister T, Luger P. Grabowsky S, et al. Among authors: jayatilaka d. J Phys Chem A. 2011 Nov 17;115(45):12715-32. doi: 10.1021/jp203677c. Epub 2011 Jul 22. J Phys Chem A. 2011. PMID: 21780784

3

The significance of ionic bonding in sulfur dioxide: bond orders from X-ray diffraction data.

Grabowsky S, Luger P, Buschmann J, Schneider T, Schirmeister T, Sobolev AN, Jayatilaka D. Grabowsky S, et al. Among authors: jayatilaka d. Angew Chem Int Ed Engl. 2012 Jul 2;51(27):6776-9. doi: 10.1002/anie.201200745. Epub 2012 May 29. Angew Chem Int Ed Engl. 2012. PMID: 22644673 No abstract available.

4

Hirshfeld atom refinement for modelling strong hydrogen bonds.

Woińska M, Jayatilaka D, Spackman MA, Edwards AJ, Dominiak PM, Woźniak K, Nishibori E, Sugimoto K, Grabowsky S. Woińska M, et al. Among authors: jayatilaka d. Acta Crystallogr A Found Adv. 2014 Sep;70(Pt 5):483-98. doi: 10.1107/S2053273314012443. Epub 2014 Aug 30. Acta Crystallogr A Found Adv. 2014. PMID: 25176996

5

Hirshfeld atom refinement.

Capelli SC, Bürgi HB, Dittrich B, Grabowsky S, Jayatilaka D. Capelli SC, et al. Among authors: jayatilaka d. IUCrJ. 2014 Aug 29;1(Pt 5):361-79. doi: 10.1107/S2052252514014845. eCollection 2014 Sep 1. IUCrJ. 2014. PMID: 25295177 Free PMC article.

6

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals.

Turner MJ, Grabowsky S, Jayatilaka D, Spackman MA. Turner MJ, et al. Among authors: jayatilaka d. J Phys Chem Lett. 2014 Dec 18;5(24):4249-55. doi: 10.1021/jz502271c. Epub 2014 Nov 26. J Phys Chem Lett. 2014. PMID: 26273970 Free article.

7

Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

Woińska M, Grabowsky S, Dominiak PM, Woźniak K, Jayatilaka D. Woińska M, et al. Among authors: jayatilaka d. Sci Adv. 2016 May 27;2(5):e1600192. doi: 10.1126/sciadv.1600192. eCollection 2016 May. Sci Adv. 2016. PMID: 27386545 Free PMC article.

8

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

Bučinský L, Jayatilaka D, Grabowsky S. Bučinský L, et al. Among authors: jayatilaka d. J Phys Chem A. 2016 Aug 25;120(33):6650-69. doi: 10.1021/acs.jpca.6b05769. Epub 2016 Aug 16. J Phys Chem A. 2016. PMID: 27434184

9

Validation of X-ray Wavefunction Refinement.

Woińska M, Jayatilaka D, Dittrich B, Flaig R, Luger P, Woźniak K, Dominiak PM, Grabowsky S. Woińska M, et al. Among authors: jayatilaka d. Chemphyschem. 2017 Dec 6;18(23):3334-3351. doi: 10.1002/cphc.201700810. Epub 2017 Nov 23. Chemphyschem. 2017. PMID: 29168318

10

A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element-Oxygen Bond of Hydroxides H_n XOH.

Fugel M, Beckmann J, Jayatilaka D, Gibbs GV, Grabowsky S. Fugel M, et al. Among authors: jayatilaka d. Chemistry. 2018 Apr 20;24(23):6248-6261. doi: 10.1002/chem.201800453. Epub 2018 Apr 6. Chemistry. 2018. PMID: 29465756

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

72 results

Search Page

Filters