The equilibrium molecular structure of 3-methyl-4-nitro- and 4-methyl-3-nitrofuroxans by gas-phase electron diffraction and coupled cluster calculations
Alexander V. Belyakov, A. A. Oskorbin, Vitalii A. Losev, Anatolii N. Rykov, Igor F. Shishkov, Леонид Л. Ферштат, Alexander А. Larin, Vladimir V. Kuznetsov, Нина Н. Махова
Topics & Concepts
ChemistryAntibonding molecular orbitalHyperconjugationElectron diffractionLone pairMolecular orbitalComputational chemistryNitroCrystallographyMoleculeElectronAtomic orbitalDiffractionQuantum mechanicsPhysicsAlkylOrganic chemistryEnergetic Materials and CombustionStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and Biological Evaluation