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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
Kemisk Institut
30
Citationer (Scopus)
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Alfabetisk
Teknik og materialevidenskab
Absorption spectra
45%
Capacitance
13%
Density functional theory
93%
Embedded systems
14%
Gold
33%
Light absorption
47%
Metals
10%
Molecular mechanics
100%
Molecules
15%
Nanoparticles
30%
Polarization
14%
Fysik og astronomi
absorption spectra
23%
capacitance
12%
density functional theory
48%
embedding
16%
field theory (physics)
47%
gold
24%
metal surfaces
15%
molecules
8%
nanoparticles
21%
optical absorption
26%
optical spectrum
28%
performance
6%
polarization
8%
thymidine
23%
Kemiske forbindelser
Absorption Spectrum
22%
Absorptivity
30%
Density Functional Theory
38%
Environment
35%
Force
31%
Metal
7%
Molecular Cluster
10%
Molecular Mechanic
61%
Molecule
5%
Nanoparticle
15%
Solvent
7%
Surface
19%
Thymidine
17%