Scribd Logo
Upload

Welcome to Scribd!

  • Seminar Notes

    Uploaded by

    Amanda
    4 views1 page
    1. Jessalyn DeVine discussed vibrational energy pooling in CO ices and how low energy conditions can form C-C bonds through a spin-forbidden transition in a CO dimer. The talk was difficult to follow due to the fast speaking pace. 2. Nathan J. DeYonker talked about challenges with modeling small molecules using electronic structure methods like coupled cluster theory and multireference methods. He discussed extending quartic force field theory to metal-containing molecules and the importance of including inner core electrons. The presentation would have benefited from clearer inflections and better slide transitions to help the audience follow the key points.

    Original Description:

    Copyright

    © © All Rights Reserved

    Available Formats

    PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    Report this Document
    1. Jessalyn DeVine discussed vibrational energy pooling in CO ices and how low energy conditions can form C-C bonds through a spin-forbidden transition in a CO dimer. The talk was difficult to follow due to the fast speaking pace. 2. Nathan J. DeYonker talked about challenges with modeling small molecules using electronic structure methods like coupled cluster theory and multireference methods. He discussed extending quartic force field theory to metal-containing molecules and the importance of including inner core electrons. The presentation would have benefited from clearer inflections and better slide transitions to help the audience follow the key points.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as pdf or txt
    4 views1 page

    Seminar Notes

    Uploaded by

    Amanda
    1. Jessalyn DeVine discussed vibrational energy pooling in CO ices and how low energy conditions can form C-C bonds through a spin-forbidden transition in a CO dimer. The talk was difficult to follow due to the fast speaking pace. 2. Nathan J. DeYonker talked about challenges with modeling small molecules using electronic structure methods like coupled cluster theory and multireference methods. He discussed extending quartic force field theory to metal-containing molecules and the importance of including inner core electrons. The presentation would have benefited from clearer inflections and better slide transitions to help the audience follow the key points.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as pdf or txt
    of 1

    1.

    Jessalyn DeVine -
    a. Vibrational energy pooling
    b. You don’t need extreme conditions to form C-C bonds in CO ices
    c. Energy thresholds are due to dimer that acts as energy sink?
    d. Lowest energy conditions are when products are accessed through a
    spin-forbidden transition in a CO dimer
    e. Lessons learned about speaking:
    i. This talk was a bit difficult to follow because of how quickly the speaker
    spoke
    2. Nathan J. DeYonker - Big Trouble with Little Molecules
    a. Electronic ground state carousel
    b. strong=nondynamical correlations
    c. Multireference methods?
    d. Coupled cluster theory?
    i. It fails when the molecule is displaced along the vibrational mode, even
    when the molecule is close to equilibrium
    e. Quartic force fields
    i. The speaker extended this theory to better handle metal-containing
    molecules
    ii. Composite reference geometries for QFFs are a bad idea
    f. Inner core electrons have effects -> composite shifts are important
    g. Lessons learned about speaking:
    i. Inflections matter during presentations! It makes it difficult to tell questions
    apart from statements and it makes it difficult to figure out the main points
    ii. Use transitions within slides as you go through the points to make it
    easier to follow what step led to what results

    You might also like