de Wijs GA - Search Results

1

Hydrogen bonding and chemical shift assignments in carbazole functionalized isocyanides from solid-state NMR and first-principles calculations.

Gowda CM, Vasconcelos F, Schwartz E, van Eck ER, Marsman M, Cornelissen JJ, Rowan AE, de Wijs GA, Kentgens AP. Gowda CM, et al. Among authors: de wijs ga. Phys Chem Chem Phys. 2011 Jul 28;13(28):13082-95. doi: 10.1039/c1cp20304e. Epub 2011 Jun 15. Phys Chem Chem Phys. 2011. PMID: 21677972

2

Theoretical study of the stable radicals galvinoxyl, azagalvinoxyl and wurster's blue perchlorate in the solid state.

Havenith RW, de Wijs GA, Attema JJ, Niermann N, Speller S, de Groot RA. Havenith RW, et al. Among authors: de wijs ga, de groot ra. J Phys Chem A. 2008 Aug 21;112(33):7734-8. doi: 10.1021/jp801987d. Epub 2008 Jul 30. J Phys Chem A. 2008. PMID: 18665571

3

A solid-state NMR and DFT study of compositional modulations in Al(x)Ga(1-x)As.

Knijn PJ, van Bentum PJ, van Eck ER, Fang C, Grimminck DL, de Groot RA, Havenith RW, Marsman M, Meerts WL, de Wijs GA, Kentgens AP. Knijn PJ, et al. Among authors: de wijs ga, de groot ra. Phys Chem Chem Phys. 2010 Oct 7;12(37):11517-35. doi: 10.1039/c003624b. Epub 2010 Aug 2. Phys Chem Chem Phys. 2010. PMID: 20676445

4

Intrinsic defects and dopants in LiNH2: a first-principles study.

Hazrati E, Brocks G, Buurman B, de Groot RA, de Wijs GA. Hazrati E, et al. Among authors: de wijs ga, de groot ra. Phys Chem Chem Phys. 2011 Apr 7;13(13):6043-52. doi: 10.1039/c0cp01540g. Epub 2011 Feb 22. Phys Chem Chem Phys. 2011. PMID: 21344077 Free article.

5

Finite-field implementation of NMR chemical shieldings for molecules: direct and converse gauge-including projector-augmented-wave methods.

Vasconcelos F, de Wijs GA, Havenith RW, Marsman M, Kresse G. Vasconcelos F, et al. Among authors: de wijs ga. J Chem Phys. 2013 Jul 7;139(1):014109. doi: 10.1063/1.4810799. J Chem Phys. 2013. PMID: 23822295

6

Interactions of adsorbed CO₂ on water ice at low temperatures.

Karssemeijer LJ, de Wijs GA, Cuppen HM. Karssemeijer LJ, et al. Among authors: de wijs ga. Phys Chem Chem Phys. 2014 Aug 7;16(29):15630-9. doi: 10.1039/c4cp01622j. Epub 2014 Jun 23. Phys Chem Chem Phys. 2014. PMID: 24955794

7

A multi-nuclear magnetic resonance and density functional theory investigation of epitaxially grown InGaP2.

Knijn PJ, van Bentum PJ, Fang CM, Bauhuis GJ, de Wijs GA, Kentgens AP. Knijn PJ, et al. Among authors: de wijs ga. Phys Chem Chem Phys. 2016 Aug 3;18(31):21296-304. doi: 10.1039/c5cp04593b. Phys Chem Chem Phys. 2016. PMID: 27424548

8

Symmetry, Dynamics, and Defects in Methylammonium Lead Halide Perovskites.

Franssen WM, van Es SG, Dervişoğlu R, de Wijs GA, Kentgens AP. Franssen WM, et al. Among authors: de wijs ga. J Phys Chem Lett. 2017 Jan 5;8(1):61-66. doi: 10.1021/acs.jpclett.6b02542. Epub 2016 Dec 12. J Phys Chem Lett. 2017. PMID: 27936800

9

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations.

de Wijs GA, Laskowski R, Blaha P, Havenith RW, Kresse G, Marsman M. de Wijs GA, et al. J Chem Phys. 2017 Feb 14;146(6):064115. doi: 10.1063/1.4975122. J Chem Phys. 2017. PMID: 28201885

10

The Rich Solid-State Phase Behavior of dl-Aminoheptanoic Acid: Five Polymorphic Forms and Their Phase Transitions.

Smets MMH, Pitak MB, Cadden J, Kip VR, de Wijs GA, van Eck ERH, Tinnemans P, Meekes H, Vlieg E, Coles SJ, Cuppen HM. Smets MMH, et al. Among authors: de wijs ga. Cryst Growth Des. 2018 Jan 3;18(1):242-252. doi: 10.1021/acs.cgd.7b01175. Epub 2017 Nov 29. Cryst Growth Des. 2018. PMID: 30258304 Free PMC article.

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