#ChemShellHighlights - Twitter Hashtag

almost 3 years ago

New methods in ChemShell enable the calculation of QM/MM IR and Raman spectroscopic signatures for molecular and materials systems. Read more: https://t.co/udmMZaFAsh #ChemShellHighlights

chemshproject's tweet photo. New methods in ChemShell enable the calculation of QM/MM IR and Raman spectroscopic signatures for molecular and materials systems.

Read more: https://t.co/udmMZaFAsh

#ChemShellHighlights https://t.co/L2ZPeo5eCb

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ChemShell @chemshproject

over 3 years ago

ChemShell has been used to investigate the effect of solvent on the reactivity of copper-exchanged zeolites for selective catalytic reduction of dangerous NOx species produced by fossil fuel combustion. For more details see: https://t.co/LCPKfl62tP #ChemShellHighlights

chemshproject's tweet photo. ChemShell has been used to investigate the effect of solvent on the reactivity of copper-exchanged zeolites for selective catalytic reduction of dangerous NOx species produced by fossil fuel combustion.

For more details see: https://t.co/LCPKfl62tP

#ChemShellHighlights https://t.co/POjvOFFMWN

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ChemShell @chemshproject

over 3 years ago

QM/MM calculations with ChemShell have been used to help develop an improved interatomic potential for CeO2. For more details see: https://t.co/KMEt9Dl7AM #ChemShellHighlights

chemshproject's tweet photo. QM/MM calculations with ChemShell have been used to help develop an improved interatomic potential for CeO2.

For more details see: https://t.co/KMEt9Dl7AM

#ChemShellHighlights https://t.co/fgMTKZRYNu

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