Love me some cover art! This one was fun!
✨ Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene (@CPuzzarini )View quoted post on X
@AmerChemSociety
pubs.acs.org/doi/abs/10.102…
Terri Field-Theodore
@terri_ft
Theoretical chemist with an eclectic interest in human evolution, our Universe, yoga and ballet. @SSMeridionale postdoc fellow. Based in Bologna: @rotcomp Lab.
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Latest posts 5
Out now in ApJ! Mega proud of this one. A Theoretical Investigation of OH• + H2CCNH Reactivity: Interstellar Insights into Glycolonitrile Formation doi.org/10.3847/1538-4… via @AAS_Publishing
iopscience.iop.org A Theoretical Investigation of OH• + H2CCNH Reactivity: Interstellar Insights into Glycolonitrile... A Theoretical Investigation of OH• + H2CCNH Reactivity: Interstellar Insights into Glycolonitrile Formation, Field-Theodore, Terri E., Ravasio, Mattia, Alessandrini, Silvia, Cavallotti, Carlo,... Check out our new Lego-brick paper (an extension to protonated molecules) and my artwork on the cover of CPL:
sciencedirect.com/science/articl…
sciencedirect.com/science/articl…
Fascinating and inspiring talks at Sanibel this morning, hearing about the early days of quantum chemistry on classical computers! #CompChem #64thSanibel
🚨 Hot off the press! Our great big benchmark study on the effect of fluorine substitution on magnetizabilities! Always a fun time working with my PhD @DavidJDWilson and former post-doc (Pete Taylor) supervisors!
pubs.acs.org/doi/10.1021/ac…
pubs.acs.org/doi/10.1021/ac…
pubs.acs.org Effect of Fluorine Substitution on Magnetizabilities: Insights from Density Functional Theory and... Abstract. The quantitative calculation of the magnetizability tensor of fluorine-containing molecules has been a longstanding challenge for quantum chemist