The energy components of the extended transition state energy decomposition analysis are path functions: the case of water tetramer
Miquel Solà, Miquel Duran, Jordi Poater
Topics & Concepts
TetramerPath (computing)Work (physics)Energy (signal processing)ChemistryIsomerizationDissociation (chemistry)Statistical physicsDecompositionEnergy landscapeChemical physicsBond-dissociation energyMoleculeComputational chemistryComputer scienceThermodynamicsPhysicsQuantum mechanicsPhysical chemistryOrganic chemistryEnzymeCatalysisProgramming languageAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMass Spectrometry Techniques and Applications