Area 51 » Tyberius

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name	Tyberius
member for	4 years
seen	Apr 17 at 16:55
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location	Lawrence, KS, United States

2nd year Grad student at the University of Kansas pursuing a PhD in computational chemistry.

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Matter Modeling

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Matter Modeling: How is charge transfer modeled for periodic systems?

Matter Modeling: What programs compute the exchange-correlation two-electron integrals for Kohn -Sham DFT?

Matter Modeling: How does a complete basis set remove Pulay forces?

Mass Spectrometry: Are there computational methods to predict the fragmentation patterns seen during MS analysis?

Matter Modeling: Why are screened functionals used in solid state electronic structure theory?

Matter Modeling: What computational work has been applied to the problem of valleytronics?

Mass Spectrometry: How are ion fragments separated by time of flight MS?

Mass Spectrometry: For a given system, how to choose between chemical ionization (CI) and electron ionization (EI)?

Mass Spectrometry: Are there MS techniques for inducing chiral specific fragmentation patterns?

Mass Spectrometry: Is mass spectrometry applicable to inorganic/organometallic complexes?

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