Materias dentro de su búsqueda.
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Quantum chemistry
108
quantum chemistry
52
article
46
Molecular dynamics
26
Quantum theory
20
priority journal
20
Molecules
18
Quantum chemical calculations
18
calculation
18
Hydrogen bonds
16
Models, Molecular
16
controlled study
14
unclassified drug
14
Binding Sites
12
Chemical bonds
12
Density functional theory
12
Dynamics
12
Solvents
12
X ray diffraction
12
chemical structure
12
conformation
12
energy
12
geometry
12
mathematical analysis
12
Computer Simulation
10
Configuration interactions
10
Ground state
10
Hydrogen
10
Ions
10
Molecular dynamics simulations
10
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1Publicado 2013Materias: “...Quantum chemistry...”
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3Publicado 2014Materias: “...Quantum chemistry...”
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15Publicado 2005Materias: “...quantum chemistry...”
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16por 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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17Publicado 2007Materias: “...Quantum chemistry...”
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18Materias: “...Quantum chemistry...”
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19Publicado 2006Materias: “...Ab initio quantum chemistry methods...”
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20Publicado 2005Materias: “...quantum chemistry...”