“On-the-fly” coupled cluster path-integral molecular...

“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer

Spura, Thomas, Elgabarty, Hossam, Kühne, Thomas D.
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Volume:
17
Year:
2015
Language:
english
Journal:
Phys. Chem. Chem. Phys.
DOI:
10.1039/c4cp05192k
File:
PDF, 1.07 MB
english, 2015
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