The Equilibrium Molecular Structure of 4-Cyanopyridine According to a Combined Analysis of Gas-Phase Electron Diffraction and Microwave Data and Coupled-Cluster Computations

Axial–equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane

(2017) Marcos Juanes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Determination of Equilibrium Structure of 3-Aminophthalonitrile by Gas Electron Diffraction and Coupled-Cluster Computations: Structural Effects Due to Intramolecular Charge Transfer

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Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH

(2015) Natalja Vogt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IR spectra of nitrobenzene and nitrobenzene-15N in the gas phase, ab initio analysis of vibrational spectra and reliable force fields of nitrobenzene and 1,3,5-trinitrobenzene. Investigation of equilibrium geometry and internal rotation in these simplest aromatic nitro compounds with one and three rotors by means of electron diffraction, spectroscopic, and quantum chemistry data

(2015) Leonid S. Khaikin et al.   STRUCTURAL CHEMISTRY

From the Determination of the Accurate Equilibrium Structure of 1-Methylthymine by Gas Electron Diffraction and Coupled Cluster Computations to the Observation of Methylation and Flexibility Effects in Pyrimidine Nucleobases

(2014) Natalja Vogt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Equilibrium Structures of Three-, Four-, Five-, Six-, and Seven-Membered Unsaturated N-Containing Heterocycles

(2014) Attila G. Császár et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations

(2013) Natalja Vogt et al.   JOURNAL OF MOLECULAR STRUCTURE