Ab initio studies of structural features not easily amenable to experiment: Part 28. Comparison of the observed ground state rotational constants of the methyl ester of glycine with the rotational constants calculated for some planar and non-planar gradient geometries
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[1] W. Caminati,et al. Bifurcated hydrogen bond and large amplitude vibrations in glycine methyl ester , 1982 .
[2] L. Schaefer,et al. Molecular orbital constrained electron diffraction studies. 4. Conformational analysis of the methyl ester of glycine , 1982 .
[3] L. Schäfer,et al. Abinitio studies of structural features not easily amenable to experiment. 12. The molecular structure of bicyclo(2.1.0)pentane and the usefulness of abinitio geometries in interpreting microwave rs‐structure model uncertainties , 1981 .
[4] R. Suenram,et al. THEORY VERSUS EXPERIMENT: THE CASE OF GLYCINE , 1980 .
[5] Peter Pulay,et al. Systematic AB Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives , 1979 .
[6] L. Schäfer,et al. Investigations concerning the apparent contradiction between the microwave structure and the ab initio calculations of glycine , 1978 .
[7] Peter Pulay,et al. Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules , 1969 .