Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins Export

@article{citeulike:5048196, author = {Rauhut, Guntram and Pulay, Peter}, citeulike-article-id = {5048196}, citeulike-linkout-0 = {http://dx.doi.org/10.1021/ja00119a034}, citeulike-linkout-1 = {http://pubs.acs.org/doi/abs/10.1021/ja00119a034}, day = {1}, doi = {10.1021/ja00119a034}, journal = {Journal of the American Chemical Society}, keywords = {ab-initio, dft, frequency, infra\_red}, month = {April}, number = {14}, pages = {4167--4172}, posted-at = {2009-07-03 18:22:52}, priority = {2}, title = {Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins}, url = {http://dx.doi.org/10.1021/ja00119a034}, volume = {117}, year = {1995} }

TY - JOUR ID - citeulike:5048196 L3 - citeulike-article-id:5048196 IS - 14 JF - Journal of the American Chemical Society EP - 4172 TI - Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins VL - 117 SP - 4167 KW - ab-initio KW - dft KW - frequency KW - infra_red AU - Rauhut, Guntram AU - Pulay, Peter PY - 1995/04/01/ UR - http://dx.doi.org/10.1021/ja00119a034 ER -