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Chemistry
10th Edition
ISBN: 9781305957404
Author: Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher: Cengage Learning
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Question
For the trans-dichlorethylene molecule, determine:
a) The reducible representation at the base of all x, y, z coordinates over all atoms
b) The corresponding irreducible representations.
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- How would you determine the normalised molecular orbital coefficients of butadiene using the eigenvector of the Huckel matrix for the lowest energy orbital?arrow_forwardWhich of the following statements is correct, based on your Gaussian16 calculations of a water molecule using the 3-21G and 6-31G basis sets: о The 6-31G basis set contains the same number of basis functions and the same number of primitive Gaussian functions as the 3-21G basis set; The 6-31G basis set contains the same number of O O O basis functions but 9 more primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions than the 3-21G basis set, but the same number of primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions and 9 more primitive Gaussian functions than the 3- 21G basis set.arrow_forwardAutoSave O ff 331SYL22 - - O Search (Alt+Q) Yuleymi Gondola Protected View · Saved to this PC File Design References Mailings Review View Help P Comments v A Share Home Insert Draw Layout The following are some normal modes of vibration for several molecules. In each case: Determine the point group for the molecule Determine how the vibration transforms under each symmetry operation of the point and assign the appropriate irreducible representation State whether the vibration is IR active and/or Raman active Cote (benzene): C=C stretch c=C stretch a. e. "Breathing" CC twist C=C twist b. "Flexing" Asymmetric C-H and C-Ci stretches Asymmetric C-H and C-Ci stretches C. g. Symmetric C-H and C-Cl stretches Symmetric C-H and C-CI stretches Asymmetric C-H stretches d. h. k. Page 6 of 6 3011 words Text Predictions: On O Focus 100% 12:01 PM O Type here to search 12% 4 71°F * 4) ENG 3/23/2022 19 近arrow_forward
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