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Molecular Mechanics
Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase
Title: Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase br/ Author(s): Dance, Ian br/ Source: CHEMBIOCHEM, 21 (12): 1671-1709 JUN 15 2020 br/ Document Type: Review
QM/MM
Absorption spectra of pyruvic acid in water: insights from calculations for small hydrates and comparison to experiment
Title: Absorption spectra of pyruvic acid in water: insights from calculations for small hydrates and comparison to experiment br/ Author(s): Shemesh, Dorit; Luo, Man; Grassian, Vicki H.; et al. br/ Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (22): 12658-12670 JUN 14 2020 br/ Document Type: Article
Quantum Chemistry
Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups
Title: Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups br/ Author(s): Alexandradinata, A.; Wang, Zhijun; Bernevig, B. Andrei; et al. br/ Source: PHYSICAL REVIEW B, 101 (23): JUN 29 2020 br/ Document Type: Article