Microwave rotational spectrum and ab initio computations on 4-cyanopyridine: molecular structure and hyperfine interactions

Axial–equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane

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

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

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

Electron Delocalization in Polyenes: A Semiexperimental Equilibrium Structure for (3E)-1,3,5-Hexatriene and Theoretical Structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-Octatetraene

(2014) Norman C. Craig et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Accurate Determination of the Deformation of the Benzene Ring upon Substitution: Equilibrium Structures of Benzonitrile and Phenylacetylene

(2013) Heinz Dieter Rudolph et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Accuracy of the rotational constants

(2010) Natalaja Vogt et al.   JOURNAL OF MOLECULAR STRUCTURE