Publication | Closed Access
Theoretical study of isoelectronic systems: Diazomethane, ketene and allene
22
Citations
9
References
1969
Year
Gaussian OrbitalsEngineeringPhysicsIsoelectronic SystemsNatural SciencesComputational ChemistryQuantum ChemistryChemistryAvailable Experimental DataMolecular ChemistryElectronic StructureSpectra-structure CorrelationAb-initio MethodBasis Functions
Abstract All‐electron SCF – LCAO – MO computations for diazomethane, ketene and allene are presented. The basis functions are contracted Gaussian orbitals. Theoretical results are discussed and related to available experimental data.
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