Infrared spectrum, apt charges and mulliken of hartree-fock methods protonated rhodochrosite crystal
Ricardo Gobato, Marcia Regina Risso Gobato, Alireza Heidari, Abhijit Mitra
Topics & Concepts
Hartree–Fock methodRhodochrositeProtonationCrystal (programming language)Mulliken population analysisInfraredChemistryPhysicsComputational chemistryQuantum mechanicsDensity functional theoryMineralogyOrganic chemistryComputer scienceIonCalciteProgramming languageIron oxide chemistry and applicationsMinerals Flotation and Separation TechniquesField-Flow Fractionation Techniques