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Avijit Shee
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Title
Predictive simulations of ionization energies of solvated halide ions with relativistic embedded Equation of Motion Coupled-Cluster Theory: Dataset
info
dataset
Journal
oleh
Yassine
,
Avijit
Shee
,
Florent Real
,
Valerie Vallet
,
Andre Severo Pereira Gomes
Terbitan:
2018
Daftar Isi:
';
“
... Theory", by Yassine Bouchafra,
Avijit
Shee
, Florent Réal, Valérie Vallet and André Severo Pereira Gomes...
”
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Related Subjects
Frozen density embedding
Halides
Ionization energies
Polarizable force fields
Relativistic electronic structure
Water droplets
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