Niehaus T - Search Results

1

Liquid-Solid Slip on Charged Walls: The Dramatic Impact of Charge Distribution.

Xie Y, Fu L, Niehaus T, Joly L. Xie Y, et al. Among authors: niehaus t. Phys Rev Lett. 2020 Jul 3;125(1):014501. doi: 10.1103/PhysRevLett.125.014501. Phys Rev Lett. 2020. PMID: 32678629

2

Ultrafast Nonadiabatic Cascade and Subsequent Photofragmentation of Extreme Ultraviolet Excited Caffeine Molecule.

Marciniak A, Yamazaki K, Maeda S, Reduzzi M, Despré V, Hervé M, Meziane M, Niehaus TA, Loriot V, Kuleff AI, Schindler B, Compagnon I, Sansone G, Lépine F. Marciniak A, et al. J Phys Chem Lett. 2018 Dec 20;9(24):6927-6933. doi: 10.1021/acs.jpclett.8b02964. Epub 2018 Nov 29. J Phys Chem Lett. 2018. PMID: 30444124

3

Characterization of Charge Transfer in Excited States of Extended Clusters of π-Stacked Donor and Acceptor Complexes in Lock-Arm Supramolecular Ordering.

Chen RX, Aquino AJA, Sue AC, Niehaus T, Lischka H. Chen RX, et al. Among authors: niehaus t. J Phys Chem A. 2019 May 30;123(21):4532-4542. doi: 10.1021/acs.jpca.9b02208. Epub 2019 May 16. J Phys Chem A. 2019. PMID: 31050426

4

New type of charged defect in amorphous chalcogenides.

Simdyankin SI, Niehaus TA, Natarajan G, Frauenheim T, Elliott SR. Simdyankin SI, et al. Among authors: niehaus ta. Phys Rev Lett. 2005 Mar 4;94(8):086401. doi: 10.1103/PhysRevLett.94.086401. Epub 2005 Mar 2. Phys Rev Lett. 2005. PMID: 15783910

5

Resonant electron heating and molecular phonon cooling in single C60 junctions.

Schulze G, Franke KJ, Gagliardi A, Romano G, Lin CS, Rosa AL, Niehaus TA, Frauenheim T, Di Carlo A, Pecchia A, Pascual JI. Schulze G, et al. Among authors: niehaus ta. Phys Rev Lett. 2008 Apr 4;100(13):136801. doi: 10.1103/PhysRevLett.100.136801. Epub 2008 Apr 2. Phys Rev Lett. 2008. PMID: 18517981

6

Biphasic aggregation of a perylene bisimide dye identified by exciton-vibrational spectra.

Plötz PA, Polyutov SP, Ivanov SD, Fennel F, Wolter S, Niehaus T, Xie Z, Lochbrunner S, Würthner F, Kühn O. Plötz PA, et al. Among authors: niehaus t. Phys Chem Chem Phys. 2016 Sep 14;18(36):25110-25119. doi: 10.1039/c6cp04898f. Phys Chem Chem Phys. 2016. PMID: 27722699

7

An efficient approximate algorithm for nonadiabatic molecular dynamics.

Hanasaki K, Kanno M, Niehaus TA, Kono H. Hanasaki K, et al. J Chem Phys. 2018 Dec 28;149(24):244117. doi: 10.1063/1.5046757. J Chem Phys. 2018. PMID: 30599729

8

Critical assessment of machine-learned repulsive potentials for the density functional based tight-binding method: A case study for pure silicon.

Bissuel D, Albaret T, Niehaus TA. Bissuel D, et al. Among authors: niehaus ta. J Chem Phys. 2022 Feb 14;156(6):064101. doi: 10.1063/5.0081159. J Chem Phys. 2022. PMID: 35168340

9

Fragment orbital based description of charge transfer in peptides including backbone orbitals.

Heck A, Woiczikowski PB, Kubař T, Welke K, Niehaus T, Giese B, Skourtis S, Elstner M, Steinbrecher TB. Heck A, et al. Among authors: niehaus t. J Phys Chem B. 2014 Apr 24;118(16):4261-72. doi: 10.1021/jp408907g. Epub 2014 Apr 11. J Phys Chem B. 2014. PMID: 24655342

10

Charge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systems.

Yang Y, Dominguez A, Zhang D, Lutsker V, Niehaus TA, Frauenheim T, Yang W. Yang Y, et al. Among authors: niehaus ta. J Chem Phys. 2017 Mar 28;146(12):124104. doi: 10.1063/1.4977928. J Chem Phys. 2017. PMID: 28388105

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