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Daniel Mungo Brasil
16
Alegre-Requena, Juan V.
3
Boyle, Benjamin
3
Hilton, Michael C
3
McNally, Andrew
3
Paton, Robert S.
3
Zhang, Xuan
3
Benoit, David M.
1
Claude Y. Legault
1
Hardege, Jörg D.
1
Legault, Claude Y.
1
Raphaël Robidas
1
Robidas, Raphaël
1
Roggatz, Christina C.
1
Schirrmacher, Paula
1
Stefan
1
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DFT
TD-DFT
16
espectroscopia
16
lantanídeos
16
computational chemistry
3
gaussian
3
ligand coupling
3
mechanism
3
orca
3
Automation
2
calculation
2
chemistry
2
modeling
2
modelling
2
quantum
2
Chemically-mediated behaviour
1
Chemoattractant
1
Energy
1
Environment and Sustainability
1
High Performance Computing (Hull Viper)
1
Lasers and Light Matter Interactions
1
Ligand protonation
1
Pagurus bernhardus
1
TAAR1 receptor
1
computantional chemistry
1
errors in geometries
1
molecular geometries
1
molecular structures
1
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