A hybrid density functional theory/molecular mechanics approach for linear response properties in heterogeneous environments

Zilvinas Rinkevicius, Xin Li, Jaime A.R. Sandberg, Kurt Valentin Mikkelsen, Hans Agren

30 Citationer (Scopus)

Originalsprog	Engelsk
Tidsskrift	Journal of Chemical Theory and Computation
Vol/bind	10
Udgave nummer	3
Sider (fra-til)	989-1003
Antal sider	15
ISSN	1549-9618
DOI	https://doi.org/10.1021/ct400897s
Status	Udgivet - 11 mar. 2014

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AU - Rinkevicius, Zilvinas

AU - Li, Xin

AU - Sandberg, Jaime A.R.

AU - Mikkelsen, Kurt Valentin

AU - Agren, Hans

PY - 2014/3/11

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