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Items: 18

1.

Efficient Semi-Numerical Implementation of Relativistic Exact Exchange within the Infinite-Order Two-Component Method Using a Modified Chain-of-Spheres Method.

Maier TM, Ikabata Y, Nakai H.

J Chem Theory Comput. 2019 Sep 10;15(9):4745-4763. doi: 10.1021/acs.jctc.9b00228. Epub 2019 Aug 23.

PMID:
31403794
2.

Construction of alkyl-substituted pentaphosphido ligands in the coordination sphere of cobalt.

Ziegler CGP, Maier TM, Pelties S, Taube C, Hennersdorf F, Ehlers AW, Weigand JJ, Wolf R.

Chem Sci. 2018 Dec 4;10(5):1302-1308. doi: 10.1039/c8sc04745f. eCollection 2019 Feb 7.

3.

Amine-Borane Dehydrogenation and Transfer Hydrogenation Catalyzed by α-Diimine Cobaltates.

Maier TM, Sandl S, Shenderovich IG, Jacobi von Wangelin A, Weigand JJ, Wolf R.

Chemistry. 2019 Jan 2;25(1):238-245. doi: 10.1002/chem.201804811. Epub 2018 Dec 11.

PMID:
30378191
4.

Lessons from the Spin-Polarization/Spin-Contamination Dilemma of Transition-Metal Hyperfine Couplings for the Construction of Exchange-Correlation Functionals.

Schattenberg CJ, Maier TM, Kaupp M.

J Chem Theory Comput. 2018 Nov 13;14(11):5653-5672. doi: 10.1021/acs.jctc.8b00597. Epub 2018 Oct 18.

PMID:
30299950
5.

Development of a TDDFT-Based Protocol with Local Hybrid Functionals for the Screening of Potential Singlet Fission Chromophores.

Grotjahn R, Maier TM, Michl J, Kaupp M.

J Chem Theory Comput. 2017 Oct 10;13(10):4984-4996. doi: 10.1021/acs.jctc.7b00699. Epub 2017 Sep 25.

PMID:
28862856
6.

New approaches for the calibration of exchange-energy densities in local hybrid functionals.

Maier TM, Haasler M, Arbuznikov AV, Kaupp M.

Phys Chem Chem Phys. 2016 Aug 21;18(31):21133-44. doi: 10.1039/c6cp00990e. Epub 2016 Apr 15.

PMID:
27080804
7.

Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.

Maier TM, Bahmann H, Arbuznikov AV, Kaupp M.

J Chem Phys. 2016 Feb 21;144(7):074106. doi: 10.1063/1.4941919.

PMID:
26896975
8.

Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory.

Maier TM, Bahmann H, Kaupp M.

J Chem Theory Comput. 2015 Sep 8;11(9):4226-37. doi: 10.1021/acs.jctc.5b00624. Epub 2015 Aug 26.

PMID:
26575918
9.

Differentiated thyroid cancer patients more than 60 years old paradoxically show an increased life expectancy.

Maier TM, Schober O, Gerß J, Görlich D, Wenning C, Schaefers M, Riemann B, Vrachimis A.

J Nucl Med. 2015 Feb;56(2):190-5. doi: 10.2967/jnumed.114.150284. Epub 2015 Jan 22.

10.

The vibrational spectrum of FeO2(+) isomers--theoretical benchmark and experiment.

Maier TM, Boese AD, Sauer J, Wende T, Fagiani M, Asmis KR.

J Chem Phys. 2014 May 28;140(20):204315. doi: 10.1063/1.4878667.

PMID:
24880288
11.

Identification, characterization and immunogenicity of an O-antigen capsular polysaccharide of Francisella tularensis.

Apicella MA, Post DM, Fowler AC, Jones BD, Rasmussen JA, Hunt JR, Imagawa S, Choudhury B, Inzana TJ, Maier TM, Frank DW, Zahrt TC, Chaloner K, Jennings MP, McLendon MK, Gibson BW.

PLoS One. 2010 Jul 6;5(7):e11060. doi: 10.1371/journal.pone.0011060.

12.

Type IV pili in Francisella tularensis: roles of pilF and pilT in fiber assembly, host cell adherence, and virulence.

Chakraborty S, Monfett M, Maier TM, Benach JL, Frank DW, Thanassi DG.

Infect Immun. 2008 Jul;76(7):2852-61. doi: 10.1128/IAI.01726-07. Epub 2008 Apr 21.

13.

Identification of Francisella tularensis Himar1-based transposon mutants defective for replication in macrophages.

Maier TM, Casey MS, Becker RH, Dorsey CW, Glass EM, Maltsev N, Zahrt TC, Frank DW.

Infect Immun. 2007 Nov;75(11):5376-89. Epub 2007 Aug 6.

14.

In vivo Himar1-based transposon mutagenesis of Francisella tularensis.

Maier TM, Pechous R, Casey M, Zahrt TC, Frank DW.

Appl Environ Microbiol. 2006 Mar;72(3):1878-85.

15.

Construction and characterization of a highly efficient Francisella shuttle plasmid.

Maier TM, Havig A, Casey M, Nano FE, Frank DW, Zahrt TC.

Appl Environ Microbiol. 2004 Dec;70(12):7511-9.

17.

Identification of the gene encoding the sole physiological fumarate reductase in Shewanella oneidensis MR-1.

Maier TM, Myers JM, Myers CR.

J Basic Microbiol. 2003;43(4):312-27. Erratum in: J Basic Microbiol. 2004;44(1):75.

PMID:
12872312

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