Crystal structures, Hirshfeld surface analysis, antimicrobial activity, and optical properties based on DFT calculations of two new organic-inorganic hybrids:[nClBzPy] 2 …

SY Hu, Y Jiang, BY Hu, SS Liu, XR Li, XL Li… - Journal of Molecular …, 2024 - Elsevier
In this paper, two new organic-inorganic hybrids, 2-chlorobenzylpyridinium
tetrachloromanganate (II)[2ClBzPy] 2 [MnCl 4](1) and 4-chlorobenzylpyridinium …

Kinetics of N3+ and N4+ with N (4S), O (3P), and NO

VG Rodriguez, TWR Lewis, TM Miller, SG Ard… - International Journal of …, 2024 - Elsevier
Kinetics of the reactions of N 3+ and N 4+ with N (4 S) and O (3 P) are measured at room
temperature using a flowing afterglow-selected ion flow tube apparatus. Oxygen atoms are …

PyQCAMS: Python Quasi-Classical Atom–Molecule Scattering

R Koots, J Pérez-Ríos - Atoms, 2024 - mdpi.com
We present Python Quasi-classical atom–molecule scattering (PyQCAMS v0. 1.0), a new
Python package for atom–diatom scattering within the quasi-classical trajectory approach …