Harding ME - Search Results

1

The first microsolvation step for furans: New experiments and benchmarking strategies.

Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, 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, Krasowska M, Kröger LC, Leonhard K, Mogren Al-Mogren M, Mouhib H, Neese F, Pereira MN, Prakash M, Ulusoy IS, Mata RA, Suhm MA, Schnell M. Gottschalk HC, et al. Among authors: harding me. J Chem Phys. 2020 Apr 30;152(16):164303. doi: 10.1063/5.0004465. J Chem Phys. 2020. PMID: 32357787

2

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview.

Harding ME, Vázquez J, Ruscic B, Wilson AK, Gauss J, Stanton JF. Harding ME, et al. J Chem Phys. 2008 Mar 21;128(11):114111. doi: 10.1063/1.2835612. J Chem Phys. 2008. PMID: 18361558

3

Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants.

Harding ME, Lenhart M, Auer AA, Gauss J. Harding ME, et al. J Chem Phys. 2008 Jun 28;128(24):244111. doi: 10.1063/1.2943145. J Chem Phys. 2008. PMID: 18601321

4

Benchmarking the lithium-thiophene complex.

Harding ME, Klopper W. Harding ME, et al. Chemphyschem. 2013 Mar 18;14(4):708-15. doi: 10.1002/cphc.201200834. Epub 2012 Dec 6. Chemphyschem. 2013. PMID: 23225233

5

Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectra.

Greisch JF, Harding ME, Kordel M, Klopper W, Kappes MM, Schooss D. Greisch JF, et al. Among authors: harding me. Phys Chem Chem Phys. 2013 Jun 7;15(21):8162-70. doi: 10.1039/c3cp44362k. Epub 2013 Apr 19. Phys Chem Chem Phys. 2013. PMID: 23603945

6

Substitutional photoluminescence modulation in adducts of a europium chelate with a range of alkali metal cations: a gas-phase study.

Greisch JF, Harding ME, Schäfer B, Rotter M, Ruben M, Klopper W, Kappes MM, Schooss D. Greisch JF, et al. Among authors: harding me. J Phys Chem A. 2014 Jan 9;118(1):94-102. doi: 10.1021/jp4086624. Epub 2013 Dec 26. J Phys Chem A. 2014. PMID: 24341518

7

Effect of Proton Substitution by Alkali Ions on the Fluorescence Emission of Rhodamine B Cations in the Gas Phase.

Greisch JF, Harding ME, Klopper W, Kappes MM, Schooss D. Greisch JF, et al. Among authors: harding me. J Phys Chem A. 2014 May 29;118(21):3787-3794. doi: 10.1021/jp502833c. Epub 2014 May 14. J Phys Chem A. 2014. PMID: 24786781

8

Characterization of Nonanuclear Europium and Gadolinium Complexes by Gas-Phase Luminescence Spectroscopy.

Greisch JF, Harding ME, Schäfer B, Ruben M, Klopper W, Kappes MM, Schooss D. Greisch JF, et al. Among authors: harding me. J Phys Chem Lett. 2014 May 15;5(10):1727-31. doi: 10.1021/jz500614x. Epub 2014 May 5. J Phys Chem Lett. 2014. PMID: 26270374

9

Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes.

Chmela J, Harding ME, Matioszek D, Anson CE, Breher F, Klopper W. Chmela J, et al. Among authors: harding me. Chemphyschem. 2016 Jan 4;17(1):37-45. doi: 10.1002/cphc.201500626. Epub 2015 Oct 30. Chemphyschem. 2016. PMID: 26443262

10

Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.

Harding ME, Metzroth T, Gauss J, Auer AA. Harding ME, et al. J Chem Theory Comput. 2008 Jan;4(1):64-74. doi: 10.1021/ct700152c. J Chem Theory Comput. 2008. PMID: 26619980

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