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Items: 1 to 50 of 121

1.

Hybrid synthesis of zirconium oxycarbide nanopowders with defined and controlled composition.

Hauser D, Auer A, Kunze-Liebhäuser J, Schwarz S, Bernardi J, Penner S.

RSC Adv. 2019 Jan 24;9(6):3151-3156. doi: 10.1039/c8ra09584a. Epub 2019 Jan 23.

2.

High resolution transmission electron microscopy and electronic structure theory investigation of platinum nanoparticles on carbon black.

Poidevin C, Paciok P, Heggen M, Auer AA.

J Chem Phys. 2019 Jan 28;150(4):041705. doi: 10.1063/1.5047666.

PMID:
30709289
3.

Bacterially Derived Antibody Binders as Small Adapters for DNA-PAINT Microscopy.

Schlichthaerle T, Ganji M, Auer A, Kimbu Wade O, Jungmann R.

Chembiochem. 2019 Apr 15;20(8):1032-1038. doi: 10.1002/cbic.201800743. Epub 2019 Mar 19.

PMID:
30589198
4.

Spirocyclic tin salicyl alcoholates - a combined experimental and theoretical study on their structures, 119Sn NMR chemical shifts and reactivity in thermally induced twin polymerization.

Kitschke P, Preda AM, Auer AA, Scholz S, Rüffer T, Lang H, Mehring M.

Dalton Trans. 2018 Dec 18;48(1):220-230. doi: 10.1039/c8dt03695k.

PMID:
30516218
5.

Nanometer-scale Multiplexed Super-Resolution Imaging with an Economic 3D-DNA-PAINT Microscope.

Auer A, Schlichthaerle T, Woehrstein JB, Schueder F, Strauss MT, Grabmayr H, Jungmann R.

Chemphyschem. 2018 Nov 19;19(22):3024-3034. doi: 10.1002/cphc.201800630. Epub 2018 Oct 8.

PMID:
30207624
6.

Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds - an experimental and theoretical study.

Preda AM, Krasowska M, Wrobel L, Kitschke P, Andrews PC, MacLellan JG, Mertens L, Korb M, Rüffer T, Lang H, Auer AA, Mehring M.

Beilstein J Org Chem. 2018 Aug 15;14:2125-2145. doi: 10.3762/bjoc.14.187. eCollection 2018.

7.

Ensuring selectivity using retention time modulation by solvent composition, applied to the analysis of phenol in e-liquids.

Auer A, Kapeller R, Rothberger K, Schütte M.

J Chromatogr A. 2018 Nov 2;1574:122-129. doi: 10.1016/j.chroma.2018.08.062. Epub 2018 Sep 1.

PMID:
30190080
8.

Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory.

Stoychev GL, Auer AA, Neese F.

J Chem Theory Comput. 2018 Sep 11;14(9):4756-4771. doi: 10.1021/acs.jctc.8b00624. Epub 2018 Aug 15.

PMID:
30048136
9.

Correlative Single-Molecule FRET and DNA-PAINT Imaging.

Deußner-Helfmann NS, Auer A, Strauss MT, Malkusch S, Dietz MS, Barth HD, Jungmann R, Heilemann M.

Nano Lett. 2018 Jul 11;18(7):4626-4630. doi: 10.1021/acs.nanolett.8b02185. Epub 2018 Jun 29.

PMID:
29943993
10.

High-Level Ab Initio Calculations of Intermolecular Interactions: Heavy Main-Group Element π-Interactions.

Krasowska M, Schneider WB, Mehring M, Auer AA.

Chemistry. 2018 May 2. doi: 10.1002/chem.201801758. [Epub ahead of print]

PMID:
29718544
11.

Nitrogen-Functionalized Hydrothermal Carbon Materials by Using Urotropine as the Nitrogen Precursor.

Straten JW, Schleker P, Krasowska M, Veroutis E, Granwehr J, Auer AA, Hetaba W, Becker S, Schlögl R, Heumann S.

Chemistry. 2018 Aug 22;24(47):12298-12317. doi: 10.1002/chem.201800341. Epub 2018 May 2.

12.

Comparison of in vitro viability methods for Cryptosporidium oocysts.

Vande Burgt NH, Auer A, Zintl A.

Exp Parasitol. 2018 Apr;187:30-36. doi: 10.1016/j.exppara.2018.03.002. Epub 2018 Mar 5.

PMID:
29518450
13.

The furan microsolvation blind challenge for quantum chemical methods: First steps.

Gottschalk HC, Poblotzki A, Suhm MA, Al-Mogren MM, Antony J, Auer AA, Baptista L, Benoit DM, Bistoni G, Bohle F, Dahmani R, Firaha D, Grimme S, Hansen A, Harding ME, Hochlaf M, Holzer C, Jansen G, Klopper W, Kopp WA, Kröger LC, Leonhard K, Mouhib H, Neese F, Pereira MN, Ulusoy IS, Wuttke A, Mata RA.

J Chem Phys. 2018 Jan 7;148(1):014301. doi: 10.1063/1.5009011.

PMID:
29306273
14.

Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals.

Stoychev GL, Auer AA, Izsák R, Neese F.

J Chem Theory Comput. 2018 Feb 13;14(2):619-637. doi: 10.1021/acs.jctc.7b01006. Epub 2018 Jan 25.

PMID:
29301077
15.

Preferentially Oriented TiO2 Nanotubes as Anode Material for Li-Ion Batteries: Insight into Li-Ion Storage and Lithiation Kinetics.

Auer A, Portenkirchner E, Götsch T, Valero-Vidal C, Penner S, Kunze-Liebhäuser J.

ACS Appl Mater Interfaces. 2017 Oct 25;9(42):36828-36836. doi: 10.1021/acsami.7b11388. Epub 2017 Oct 10.

PMID:
28972728
16.

The role of dispersion type metalπ interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine.

Preda AM, Schneider WB, Schaarschmidt D, Lang H, Mertens L, Auer AA, Mehring M.

Dalton Trans. 2017 Oct 10;46(39):13492-13501. doi: 10.1039/c7dt02567j.

PMID:
28951920
17.

Fast, Background-Free DNA-PAINT Imaging Using FRET-Based Probes.

Auer A, Strauss MT, Schlichthaerle T, Jungmann R.

Nano Lett. 2017 Oct 11;17(10):6428-6434. doi: 10.1021/acs.nanolett.7b03425. Epub 2017 Sep 21.

PMID:
28871786
18.

A toolchain for the automatic generation of computer codes for correlated wavefunction calculations.

Krupička M, Sivalingam K, Huntington L, Auer AA, Neese F.

J Comput Chem. 2017 Jun 5;38(21):1853-1868. doi: 10.1002/jcc.24833. Epub 2017 Jun 13.

PMID:
28608423
19.

Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.

Bistoni G, Riplinger C, Minenkov Y, Cavallo L, Auer AA, Neese F.

J Chem Theory Comput. 2017 Jul 11;13(7):3220-3227. doi: 10.1021/acs.jctc.7b00352. Epub 2017 Jun 27.

PMID:
28605579
20.

Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation.

Minenkov Y, Bistoni G, Riplinger C, Auer AA, Neese F, Cavallo L.

Phys Chem Chem Phys. 2017 Apr 5;19(14):9374-9391. doi: 10.1039/c7cp00836h.

PMID:
28327742
21.

[Social determinants of health and convergence in health agendas of regional agencies in South America].

Díaz-Bermúdez XP, Bueno F, Otero LF, Auer AJ.

Rev Panam Salud Publica. 2016 Nov;40(5):325-331. Spanish.

PMID:
28076581
22.

Automatic Generation of Auxiliary Basis Sets.

Stoychev GL, Auer AA, Neese F.

J Chem Theory Comput. 2017 Feb 14;13(2):554-562. doi: 10.1021/acs.jctc.6b01041. Epub 2017 Jan 10.

PMID:
28005364
23.

Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study.

Bistoni G, Auer AA, Neese F.

Chemistry. 2017 Jan 18;23(4):865-873. doi: 10.1002/chem.201604127. Epub 2016 Dec 13.

PMID:
27809358
24.

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework.

Schneider WB, Bistoni G, Sparta M, Saitow M, Riplinger C, Auer AA, Neese F.

J Chem Theory Comput. 2016 Oct 11;12(10):4778-4792. Epub 2016 Sep 9.

PMID:
27564403
25.

Agricultural anaerobic digestion power plants in Ireland and Germany: policy and practice.

Auer A, Vande Burgt NH, Abram F, Barry G, Fenton O, Markey BK, Nolan S, Richards K, Bolton D, De Waal T, Gordon SV, O'Flaherty V, Whyte P, Zintl A.

J Sci Food Agric. 2017 Feb;97(3):719-723. doi: 10.1002/jsfa.8005. Epub 2016 Sep 28.

PMID:
27553887
26.

Comparison of fully internally and strongly contracted multireference configuration interaction procedures.

Sivalingam K, Krupicka M, Auer AA, Neese F.

J Chem Phys. 2016 Aug 7;145(5):054104. doi: 10.1063/1.4959029.

PMID:
27497536
27.

Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.

Böhm KH, Auer AA, Espig M.

J Chem Phys. 2016 Jun 28;144(24):244102. doi: 10.1063/1.4953665.

PMID:
27369492
28.

Drop-off detection with the long cane: effect of cane shaft weight and rigidity on performance.

Kim DS, Wall Emerson R, Naghshineh K, Auer A.

Ergonomics. 2017 Jan;60(1):59-68. doi: 10.1080/00140139.2016.1171403. Epub 2016 Apr 11.

29.

Highly Lewis Acidic Arylboronate Esters Capable of Colorimetric Turn-On Response.

Oehlke A, Auer AA, Schreiter K, Friebe N, Spange S.

Chemistry. 2015 Dec 1;21(49):17890-6. doi: 10.1002/chem.201500835. Epub 2015 Oct 22.

PMID:
26489784
30.

Constant chemical potential approach for quantum chemical calculations in electrocatalysis.

Schneider WB, Auer AA.

Beilstein J Nanotechnol. 2014 May 20;5:668-76. doi: 10.3762/bjnano.5.79. eCollection 2014.

31.

Thermally induced twin polymerization of 4H-1,3,2-benzodioxasilines.

Kempe P, Löschner T, Auer AA, Seifert A, Cox G, Spange S.

Chemistry. 2014 Jun 23;20(26):8040-53. doi: 10.1002/chem.201400038. Epub 2014 May 21.

PMID:
24849004
32.

Identifying stereoisomers by ab-initio calculation of secondary isotope shifts on NMR chemical shieldings.

Böhm KH, Banert K, Auer AA.

Molecules. 2014 Apr 23;19(4):5301-12. doi: 10.3390/molecules19045301.

33.

Tensor decomposition in post-Hartree-Fock methods. II. CCD implementation.

Benedikt U, Böhm KH, Auer AA.

J Chem Phys. 2013 Dec 14;139(22):224101. doi: 10.1063/1.4833565.

PMID:
24329050
34.

An (ultra) high-vacuum compatible sputter source for oxide thin film growth.

Mayr L, Köpfle N, Auer A, Klötzer B, Penner S.

Rev Sci Instrum. 2013 Sep;84(9):094103. doi: 10.1063/1.4821148.

PMID:
24089841
35.

Interaction of platinum nanoparticles with graphitic carbon structures: a computational study.

Schneider WB, Benedikt U, Auer AA.

Chemphyschem. 2013 Sep 16;14(13):2984-9. doi: 10.1002/cphc.201300375. Epub 2013 Jul 10.

PMID:
23843189
36.

The impact of spectator species on the interaction of H2O2 with platinum--implications for the oxygen reduction reaction pathways.

Katsounaros I, Schneider WB, Meier JC, Benedikt U, Biedermann PU, Cuesta A, Auer AA, Mayrhofer KJ.

Phys Chem Chem Phys. 2013 Jun 7;15(21):8058-68. doi: 10.1039/c3cp50649e. Epub 2013 Mar 20.

PMID:
23515463
37.

Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential.

Benedikt U, Schneider WB, Auer AA.

Phys Chem Chem Phys. 2013 Feb 28;15(8):2712-24. doi: 10.1039/c2cp42675g.

PMID:
23329171
38.

Effect of sea buckthorn berries and pulp in a liquid emulsion on gastric ulcer scores and gastric juice pH in horses.

Huff NK, Auer AD, Garza F Jr, Keowen ML, Kearney MT, McMullin RB, Andrews FM.

J Vet Intern Med. 2012 Sep-Oct;26(5):1186-91. doi: 10.1111/j.1939-1676.2012.00975.x. Epub 2012 Jul 28.

39.

1-Azido-1-alkynes: synthesis and spectroscopic characterization of azidoacetylene.

Banert K, Arnold R, Hagedorn M, Thoss P, Auer AA.

Angew Chem Int Ed Engl. 2012 Jul 23;51(30):7515-8. doi: 10.1002/anie.201203626. Epub 2012 Jul 6. No abstract available.

PMID:
22778044
40.

Hydrogen peroxide electrochemistry on platinum: towards understanding the oxygen reduction reaction mechanism.

Katsounaros I, Schneider WB, Meier JC, Benedikt U, Biedermann PU, Auer AA, Mayrhofer KJ.

Phys Chem Chem Phys. 2012 May 28;14(20):7384-91. doi: 10.1039/c2cp40616k. Epub 2012 Apr 19.

PMID:
22517633
41.

The Pan American Health Organization and international health: a history of training, conceptualization, and collective development.

Auer A, Guerrero Espinel JE.

Rev Panam Salud Publica. 2011 Aug;30(2):111-21. English, Spanish.

PMID:
22159721
42.

Comparison of beer quality attributes between beers brewed with 100% barley malt and 100% barley raw material.

Steiner E, Auer A, Becker T, Gastl M.

J Sci Food Agric. 2012 Mar 15;92(4):803-13. doi: 10.1002/jsfa.4651. Epub 2011 Oct 3.

PMID:
21969182
43.
44.

Breast Sonography - 2D, 3D, 4D Ultrasound or Elastography?

Weismann C, Mayr C, Egger H, Auer A.

Breast Care (Basel). 2011;6(2):98-103. Epub 2011 Apr 29.

45.

Viability of 4,5-dihydro-1,2,3,4-oxatriazoles reinvestigated.

Firdous S, Banert K, Auer AA.

Chemistry. 2011 May 9;17(20):5539-43. doi: 10.1002/chem.201100231. Epub 2011 Apr 19.

PMID:
21506186
46.

Tensor decomposition in post-Hartree-Fock methods. I. Two-electron integrals and MP2.

Benedikt U, Auer AA, Espig M, Hackbusch W.

J Chem Phys. 2011 Feb 7;134(5):054118. doi: 10.1063/1.3514201.

PMID:
21303103
47.

Beyond Cassie's law: a theoretical and experimental study of mixed alkyl monolayers.

Polster D, Graaf H, Baumgärtel T, von Borczyskowski C, Benedikt U, Auer AA.

Langmuir. 2010 Jun 1;26(11):8301-8. doi: 10.1021/la9046935.

PMID:
20420416
48.

Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constants.

Prochnow E, Auer AA.

J Chem Phys. 2010 Feb 14;132(6):064109. doi: 10.1063/1.3310282.

PMID:
20151735
49.

Is the [9]annulene cation a Möbius annulene?

Bucher G, Grimme S, Huenerbein R, Auer AA, Mucke E, Köhler F, Siegwarth J, Herges R.

Angew Chem Int Ed Engl. 2009;48(52):9971-4. doi: 10.1002/anie.200900886. No abstract available.

PMID:
19937873
50.

NMR assignments of a 48 kDa tetramer of the T1 domain of the mammalian voltage gated potassium channel Kv1.4.

Schreier C, Auer A, Kalbitzer HR, Kremer W.

Biomol NMR Assign. 2009 Dec;3(2):167-70. doi: 10.1007/s12104-009-9166-4. Epub 2009 Jun 21.

PMID:
19888682

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