Chemistry
Cavenfish
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I'm currently a Physics PhD candidate at the University of Central Florida.

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All Questions Answers
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8
What is meant when people say a molecule has high multi-reference character?
Aug 18 '19
4
GAMESS(US) Polarizable Continuum Model frequency calculations are giving me what seems to be garbage
Jan 1 '20
1
How can I cluster infrared spectra?
Nov 8 '20
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15
What exactly is the "Optimizer" in CP2K geometry optimization?
14
How much does the initial geometry affect the final geometry in optimization calculations?
12
What are some available software packages for automated finding of local and absolute minima on PES?
11
Can you model Radiation Chemistry with existing MD software?
11
What are some methods for modeling bulk phase infrared spectra?

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