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article
quantum chemistry
42
priority journal
18
calculation
14
Models, Molecular
12
controlled study
12
Binding Sites
10
Computer Simulation
10
Quantum chemistry
10
chemical structure
8
conformation
8
energy
8
geometry
8
mathematical analysis
8
nitric oxide
8
oxygen
8
unclassified drug
8
Molecular Conformation
6
Molecular dynamics
6
Thermodynamics
6
accuracy
6
chemical binding
6
chemistry
6
complex formation
6
computer simulation
6
dynamics
6
hydrogen bond
6
mathematical computing
6
molecular dynamics
6
nonhuman
6
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5Publicado 2005Materias: “...quantum chemistry...”
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6por Jorge, G.A., Stern, R., Jaime, M., Harrison, N., Boňa, J., El Shawish, S., Batista, C.D., Dabkowska, H.A., Gaulin, B.D.Materias: “...quantum chemistry...”
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