Wandtke CM - Search Results

1

Molecular Electrostatic Potentials from Invariom Point Charges.

Wandtke CM, Lübben J, Dittrich B. Wandtke CM, et al. Chemphyschem. 2016 Jul 18;17(14):2238-46. doi: 10.1002/cphc.201600213. Epub 2016 May 19. Chemphyschem. 2016. PMID: 26999276

2

Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

Dittrich B, Wandtke CM, Meents A, Pröpper K, Mondal KC, Samuel PP, Amin Sk N, Singh AP, Roesky HW, Sidhu N. Dittrich B, et al. Among authors: wandtke cm. Chemphyschem. 2015 Feb 2;16(2):412-9. doi: 10.1002/cphc.201402600. Epub 2014 Nov 13. Chemphyschem. 2015. PMID: 25393218

3

Using invariom modelling to distinguish correct and incorrect central atoms in `duplicate structures' with neighbouring 3d elements.

Wandtke CM, Weil M, Simpson J, Dittrich B. Wandtke CM, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Oct 1;73(Pt 5):794-804. doi: 10.1107/S2052520617010745. Epub 2017 Sep 29. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017. PMID: 28980983 Free PMC article.

4

Universal Method for Electrostatic Interaction Energies Estimation with Charge Penetration and Easily Attainable Point Charges.

Bojarowski SA, Kumar P, Wandtke CM, Dittrich B, Dominiak PM. Bojarowski SA, et al. Among authors: wandtke cm. J Chem Theory Comput. 2018 Dec 11;14(12):6336-6345. doi: 10.1021/acs.jctc.8b00781. Epub 2018 Nov 7. J Chem Theory Comput. 2018. PMID: 30359528

5

Aspherical scattering factors for SHELXL - model, implementation and application.

Lübben J, Wandtke CM, Hübschle CB, Ruf M, Sheldrick GM, Dittrich B. Lübben J, et al. Among authors: wandtke cm. Acta Crystallogr A Found Adv. 2019 Jan 1;75(Pt 1):50-62. doi: 10.1107/S2053273318013840. Epub 2019 Jan 1. Acta Crystallogr A Found Adv. 2019. PMID: 30575583 Free PMC article.

6

Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd₂L^A₂L^B₂] Coordination Cage.

Bloch WM, Abe Y, Holstein JJ, Wandtke CM, Dittrich B, Clever GH. Bloch WM, et al. Among authors: wandtke cm. J Am Chem Soc. 2016 Oct 19;138(41):13750-13755. doi: 10.1021/jacs.6b08694. Epub 2016 Oct 6. J Am Chem Soc. 2016. PMID: 27656912

7

Intramolecular Benzoin Reaction Catalyzed by Benzaldehyde Lyase from Pseudomonas Fluorescens Biovar I.

Hernández K, Parella T, Petrillo G, Usón I, Wandtke CM, Joglar J, Bujons J, Clapés P. Hernández K, et al. Among authors: wandtke cm. Angew Chem Int Ed Engl. 2017 May 2;56(19):5304-5307. doi: 10.1002/anie.201702278. Epub 2017 Apr 7. Angew Chem Int Ed Engl. 2017. PMID: 28387004

8

Engineered L-serine hydroxymethyltransferase from Streptococcus thermophilus for the synthesis of α,α-dialkyl-α-amino acids.

Hernandez K, Zelen I, Petrillo G, Usón I, Wandtke CM, Bujons J, Joglar J, Parella T, Clapés P. Hernandez K, et al. Among authors: wandtke cm. Angew Chem Int Ed Engl. 2015 Mar 2;54(10):3013-7. doi: 10.1002/anie.201411484. Epub 2015 Jan 21. Angew Chem Int Ed Engl. 2015. PMID: 25611820

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