Pyridine-M2+ [M = Mg, Ca]: A promising organometallic system for potential hydrogen storage: In silico study
Mrinal Kanti Dash, Amul Jain, Leena Dhruw, Santanab Giri, Zhanhu Guo, Gourisankar Roymahapatra
Topics & Concepts
ChemistryPyridineDelocalized electronHydrogen storageAdsorptionMoleculeDensity functional theoryAromaticityGibbs free energyAtoms in moleculesInorganic chemistryHydrogen bondPhysical chemistryComputational chemistryCrystallographyHydrogenOrganic chemistryThermodynamicsPhysicsHydrogen Storage and MaterialsCrystallography and molecular interactionsSynthesis and Properties of Aromatic Compounds