Search Results for "open-shell"

Insensitive (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education) is an application to simulate the NMR experiment based on the quantum mechanical density matrix formalism. It is available for Mac OS X 10.6 and above and iOS 5.1.1 and above. Please refer to the paper published in Concepts In Magnetic Resonance, 2011, 38A (2), 17-24.

Control Room is a macOS application designed to give developers advanced control over Apple’s iOS, tvOS, and watchOS simulators, streamlining the process of testing and debugging apps. Built on top of Apple’s simctl command-line tool, it provides a graphical interface that simplifies complex simulator configurations and actions. Developers can manipulate various aspects of the simulated device environment, including network conditions, battery status, and system settings, without needing to...

Crystalsim is a simple freeware program with a neat graphical user interface for X-ray diffraction (XRD) data analysis . It can simulates all possible {hkl} planes data for the selected crystal. Crystallographic Information File (.cif) can also be used. Analyze both powder diffraction and single crystal data . Indexed at International Union of Crystallography (IUCR). Crystalline lattice parameters such as ‘a’, ‘b’, ‘c’ as well as interfacial angles such as alpha, beta,...