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QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry., , , , , and . J. Chem. Inf. Model., 59 (7): 3191-3197 (2019)Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeFn, n = 1, 2, 4, 6)., , , and . J. Comput. Chem., 18 (5): 601-608 (1997)A hybrid quantum algorithm to detect conical intersections., , , , , and . Quantum, (February 2024)PyADF - A scripting framework for multiscale quantum chemistry., , , , , , , and . J. Comput. Chem., 32 (10): 2328-2338 (2011)The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems.. J. Comput. Chem., 23 (8): 759-766 (2002)Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides., , , , and . J. Comput. Chem., 20 (12): 1262-1273 (1999)Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theory., , , , , and . J. Comput. Chem., 42 (26): 1885-1894 (2021)GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra., , , , and . J. Chem. Inf. Model., 60 (1): 259-267 (2020)Pre-exascale accelerated application development: The ORNL Summit experience., , , , , , , , , and 16 other author(s). IBM J. Res. Dev., 64 (3/4): 11:1-11:21 (2020)Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm., and . J. Comput. Chem., 24 (6): 754-759 (2003)