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Density functional theory
article
36
Adsorption
30
chemistry
28
density functional theory
26
chemical structure
22
priority journal
22
Atoms
20
Electronic structure
20
Probability density function
20
Solvents
20
Models, Molecular
16
Molecular dynamics
16
Phase interfaces
16
Quantum Theory
16
Calculations
14
Conformations
14
Hydrogen bonds
14
Wetting
14
hydrogen bond
14
unclassified drug
14
Complexation
12
Positive ions
12
Pre-wetting
12
Thermodynamics
12
quantum theory
12
Article
10
Computer Simulation
10
Crystal structure
10
Diffraction
10
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10por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio César
Publicado 2005 -
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14por Capece, Luciana, Martí, Marcelo Adrián, Crespo, Alejandro, Doctorovich, Fabio Ariel, Estrin, Dario Ariel
Publicado 2006 -
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