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PubPharm (61.907)

1

Characterization of iron(III) in aqueous and alkaline environments with ab initio and ReaxFF potentials

enthalten in: The journal of chemical physics | 2024

von Riefer, A. | Hackert-Oschätzchen, M. | Plänitz, P. | +1

2

Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition

enthalten in: The journal of chemical physics | 14 February 2024

von Sasmal, S. | Schröder, M. | Vendrell, O.

3

Polymeric liquids in mesoporous photonic structures: From precursor film spreading to imbibition dynamics at the nanoscale

enthalten in: The journal of chemical physics | 2024

von Dittrich, G. | Cencha, L. | Steinhart, M. | +4

4

Quantum and classical molecular dynamics for H atom scattering from graphene

enthalten in: The journal of chemical physics | 21 November 2023

von Shi, L. | Schröder, M. | Meyer, H. | +6

5

Electron circular dichroism in hot electron emission from metallic nanohelix arrays

enthalten in: The journal of chemical physics | 28 July 2023

von Nürenberg, D. | Mark, A. | Fischer, P. | +1

6

Variational theory of angulons and their rotational spectroscopy

enthalten in: The journal of chemical physics | 3 April 2023

von Zeng, Z. | Yakaboylu, E. | Lemeshko, M. | +2

7

Perturbation theoretical approaches to strong light-matter coupling in ground and excited electronic states for the description of molecular polaritons

enthalten in: The journal of chemical physics | 31 March 2023

von Bauer, M. | Dreuw, A.

8

Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort : theory and implementation

enthalten in: The journal of chemical physics | 30 March 2023

von Ambroise, M. | Sacchetta, F. | Graf, D. | +2

9

The role of symmetric vibrational modes in the decoherence of correlation-driven charge migration

enthalten in: The journal of chemical physics | 10 March 2023

von Vester, J. | Despré, V. | Kuleff, A.

10

Matrix of orthogonalized atomic orbital coefficients representation for radicals and ions

enthalten in: The journal of chemical physics | 2023

von Llenga, S. | Gryn’ova, G.

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