@article{EngelsPericReuteretal.1992, author = {Engels, Bernd and Peric, M. and Reuter, W. and Peyerimhoff, S.D. and Grein, F.}, title = {Study of the hyperfine coupling constants \(^{14}\)N and \(^1\)H) of the NH\(_2\) molecule in the X\(^2\)B\(_1\) ground state and the A\(^2\)A\(_1\) excited state}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-58937}, year = {1992}, abstract = {The hyperfine coupling constants (hfcc) A\(_{iso}\) and A\(_{ij}\) are calculated for the atoms of NH\(_2\) in its, two lowest-lying electronk states at various molecular geometries by means of the ab initio multireference configuration interaction .method. The vibronically averaged values of the hfccs for the K = 0 and 1 levels in \(^{14}\)N \(^1\)H\(_2\) in the energy range up to 20 000 cm\(^{-1}\) are computed. Polarization elfects which determine A\(_{iso}\) as well as a simple model to describe the dipolar hfccs are discussed. All resrilts are in excellent agreement with experimental data.}, subject = {Organische Chemie}, language = {en} }