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  1. Prediction and Analysis of IR Spectra using Unified Group Theory.pdf [Download]

    Title: Prediction and Analysis of IR Spectra using Unified Group Theory.pdf
    Depositor: Joshua Ming Mukerjee
    Creator:
    • Mukerjee, Joshua Ming
    • Al-Fahham, Yasin
    • Kim, Hae-Won
    Description: We studied Standard and Unified group theories. Using a combination of Unified group theory and computer aided analysis, Gaussian09 [1] with GaussView [2] as a GUI and MOLVIB [3], we derived PED (potential energy distribution) data for molecular vibrations. We assigned IR spectra for three molecules: H2O, COCl2 and CH3NH2.
    Keywords: ACURA, Abington, Chemistry, Unified Group Theory, IR Spectra, Gaussian, Gaussview, Water, Carbonyl Dichloride, Methylamine, PED, Correspondence Rules, IR Frequencies, Molecular Internal Vibration, Potential Energy Distribution, Internal Symmetry Coordinates, Vibrational Modes, Symmetry Elements, Normal Modes
    Date Uploaded: 2016-07-31
  2. Labors & legacies: the chemists of Penn State 1855-1947 [Download]

    Title: Labors & legacies: the chemists of Penn State 1855-1947
    Depositor: Patricia M Hswe
    Creator:
    • Yarmey, Kristen A.
    Description: Preface Part I. Evan Pugh and the Farmers in the Lab Part II. Strange Transmutations Part III. The Chemistry of Swampy Pond Part IV. Gerald Wendt and the Chemistry of Industry Part V. In Whitmore's Lab. the Lights Are Always On Epilogue
    Keywords: Pennsylvania State University, Chemistry, Chemists
    Date Uploaded: 2016-04-30
  3. IR Spectra and Group Theory [Download]

    Title: IR Spectra and Group Theory
    Depositor: Melanie L Geiger
    Creator:
    • Geiger, Melanie L
    • He, Jingyang
    • Patel, Khushbu
    • Kim, Hae-Won
    Description:
    Keywords: Chemistry, Group Theory, IR SPectrum, Vibration, Symmetrical Molecules
    Date Uploaded: 2015-04-23