| Year |
Citation |
Score |
| 2023 |
Ziems KM, Simmermacher M, Gräfe S, Kirrander A. The contribution of Compton ionization to ultrafast x-ray scattering. The Journal of Chemical Physics. 159. PMID 37493128 DOI: 10.1063/5.0156363 |
0.764 |
|
| 2022 |
Coe JP, Moreno Carrascosa A, Simmermacher M, Kirrander A, Paterson MJ. Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction. Journal of Chemical Theory and Computation. 18: 6690-6699. PMID 36198067 DOI: 10.1021/acs.jctc.2c00738 |
0.646 |
|
| 2022 |
Moreno Carrascosa A, Coe JP, Simmermacher M, Paterson MJ, Kirrander A. Towards high-resolution X-ray scattering as a probe of electron correlation. Physical Chemistry Chemical Physics : Pccp. 24: 24542-24552. PMID 36193799 DOI: 10.1039/d2cp02933b |
0.738 |
|
| 2021 |
Allum F, Amini K, Ashfold M, Bansal D, Berger RJF, Centurion M, Dixit G, Durham D, Fasshauer E, Figueira Nunes JP, Fischer I, Grell G, Ivanov M, Kirrander A, Kornilov O, ... ... Simmermacher M, et al. Time-resolved diffraction: general discussion. Faraday Discussions. PMID 33982708 DOI: 10.1039/d1fd90023d |
0.701 |
|
| 2020 |
Yong H, Zotev N, Ruddock JM, Stankus B, Simmermacher M, Carrascosa AM, Du W, Goff N, Chang Y, Bellshaw D, Liang M, Carbajo S, Koglin JE, Robinson JS, Boutet S, et al. Observation of the molecular response to light upon photoexcitation. Nature Communications. 11: 2157. PMID 32358535 DOI: 10.1038/S41467-020-15680-4 |
0.595 |
|
| 2020 |
Schnack-Petersen AK, Simmermacher M, Fasshauer E, Jensen HJA, Sauer SPA. The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a four-component spinor basis. The Journal of Chemical Physics. 152: 134113. PMID 32268739 DOI: 10.1063/5.0002389 |
0.727 |
|
| 2020 |
Zotev N, Moreno Carrascosa A, Simmermacher M, Kirrander A. Excited Electronic States in Total Isotropic Scattering from Molecules. Journal of Chemical Theory and Computation. PMID 32142278 DOI: 10.1021/Acs.Jctc.9B00670 |
0.768 |
|
| 2020 |
Simmermacher M, Kirrander A, Henriksen NE. Time-resolved x-ray scattering from impulsively aligned or oriented molecules Physical Review A. 102. DOI: 10.1103/physreva.102.052825 |
0.445 |
|
| 2019 |
Simmermacher M, Moreno Carrascosa A, E Henriksen N, B Møller K, Kirrander A. Theory of ultrafast x-ray scattering by molecules in the gas phase. The Journal of Chemical Physics. 151: 174302. PMID 31703488 DOI: 10.1063/1.5110040 |
0.748 |
|
| 2019 |
Nobis D, Fisher RS, Simmermacher M, Hopkins PA, Tor Y, Jones AC, Magennis SW. Single-Molecule Detection of a Fluorescent Nucleobase Analog via Multiphoton Excitation. The Journal of Physical Chemistry Letters. PMID 31397575 DOI: 10.1021/Acs.Jpclett.9B02108 |
0.333 |
|
| 2019 |
Simmermacher M, Henriksen NE, Møller KB, Moreno Carrascosa A, Kirrander A. Electronic Coherence in Ultrafast X-Ray Scattering from Molecular Wave Packets. Physical Review Letters. 122: 073003. PMID 30848654 DOI: 10.1103/Physrevlett.122.073003 |
0.775 |
|
| 2018 |
Pápai M, Simmermacher M, Penfold TJ, Møller KB, Rozgonyi T. How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations. Journal of Chemical Theory and Computation. 14: 3967-3974. PMID 29940108 DOI: 10.1021/Acs.Jctc.8B00135 |
0.659 |
|
| 2017 |
Simmermacher M, Henriksen NE, Møller KB. Time-resolved X-ray scattering by electronic wave packets: analytic solutions to the hydrogen atom. Physical Chemistry Chemical Physics : Pccp. 19: 19740-19749. PMID 28627533 DOI: 10.1039/C7Cp01831B |
0.788 |
|
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