Semiexperimental equilibrium molecular structure of phthalic anhydride

Semiexperimental Equilibrium Structures for Building Blocks of Organic and Biological Molecules: The B2PLYP Route

(2015) Emanuele Penocchio et al.   Journal of Chemical Theory and Computation

Benchmark study of molecules with large-amplitude ring-twisting motion: accurate equilibrium structure of succinic anhydride from gas electron diffraction data and coupled-cluster computations

(2015) Natalja Vogt et al.   STRUCTURAL CHEMISTRY

Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: Structure of molecules containing the OH or the CH3group

(2014) Natalja Vogt et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Microwave measurements of the spectra and molecular structure for phthalic anhydride

(2014) Aaron M. Pejlovas et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

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

Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases

(2012) Aleksandr V. Marenich et al.   Journal of Chemical Theory and Computation

Equilibrium CO bond lengths

(2012) Jean Demaison et al.   JOURNAL OF MOLECULAR STRUCTURE

Molpro: a general-purpose quantum chemistry program package

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

Equilibrium structure of maleic anhydride from gas-phase electron diffraction (GED) and quantum-chemical studies

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

Accuracy of the rotational constants

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

Equilibrium structure and spectroscopic constants of maleic anhydride

(2010) Natalja Vogt et al.   STRUCTURAL CHEMISTRY