Shermo: A general code for calculating molecular thermochemistry properties
Tian Lu, Qinxue Chen
Topics & Concepts
ThermochemistryCode (set theory)ChemistryProcess (computing)QuantumStatistical physicsHarmonic oscillatorQuantum chemistryTheoretical computer scienceTheoretical physicsComputer scienceProgramming languageQuantum mechanicsPhysical chemistryPhysicsSet (abstract data type)ElectrodeElectrochemistryAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesChemical Thermodynamics and Molecular Structure