Norm Craig, Professor Emeritus, Chemistry & Biochemistry
Craig, Norman C.; Krasnoshchekov, Sergey V. Vibrational spectroscopy of tolane; Coriolis coupling between Raman-active modes of g symmetry. Molecular Physics, 117 (9-12):1059-1068;
June 18, 2019
From the abstract: Vibrational spectroscopy of tolane (diphenylacetylene), which has 66 normal modes, has been advanced. Anharmonic wavenumber predictions were made with the quartic potential energy surface obtained with B3LYP/cc-pVTZ model and the second-order perturbation theory (VPT2). Infrared (IR) intensity and Raman activities were computed at the harmonic level. The IR spectrum of the crystal and Raman spectra of the liquid and the crystal tolane were newly recorded.
Michael Moore, Professor, Biology
Qu, Xiao-Jian; Moore, Michael J.; Li, De-Zhu; Yi, Ting-Shuang. PGA: a software package for rapid, accurate, and flexible batch annotation of plastomes. Plant Methods, 15 May 21, 2019
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| plantmethods.biomedcentral.com/ |
From the abstract: Comparisons against other available plastome annotation tools demonstrated the high annotation accuracy of PGA, with little or no post-annotation verification necessary. Likewise, we demonstrated the flexibility of reference plastomes within PGA by annotating the plastome of Rosa roxburghii using that of Amborella trichopoda as a reference. The program, user manual and example data sets are freely available at https://github.com/quxiaojian/PGA.
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