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Subject: "[Density functional theory" Year: 2017 Year: 2018 Repository: 77

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Title: A DFT-chemotopological study on the 3D transition metal oxides anddioxygen complexes
Author: Trujillo González, Daniel E. / Ramírez Romero, María C.
Language: Español
Repository: 40
Subject: Ingeniería ambiental / Metales / Dióxido
Title: Estudio computacional del rearreglo sigmatrópico [1,3] de la (Z)-3-(4-(dimetilamino)bencilidén)tiocroman-4-ona / Computational study of [1,3] sigmatropic rearrangement of the (Z)-3-(4-(dimethylamino)benzyliden)thiocroman-4- one
Author: Núñez, Jesús / Marquez Brazon, Edgar Alexander / Rivas, Carlos F. / Urdaneta, Neudo A.
Language: Español
Repository: 57
Subject: 3-Benzylidenethiochroman-4-one / DFT / Sigmatropic rearrangement / Transition state

Acceder
Title: Theoretical study of the adsorption process of antimalarial drugs into acrylamide-base hydrogel model using dft methods: the first approach to the rational design of a controlled drug delivery system
Author: Márquez, Edgar / Mora, José R. / Puello, Esneyder / Rangel, Norma / De Moya, Aldemar / Trilleras, Jorge / Cortes, Eliceo
Language: Inglés
Repository: 57
Subject: Plasmodium falciparum / Hydrogen bond / Hydrogel / Computational modeling / Binding energy / Drug-delivery system

Acceder
Title: Absolute Configuration and H-1 NMR Characterization of Rosmaridiphenol Diacetate
Author: Munoz, M.A. / Perez-Hernandez, N. / Pertino, M.W. / Schmeda-Hirschmann, G. / Joseph-Nathan, P.
Language: Inglés
Repository: 27

Acceder
Title: Design of a Bioabsorbable stent as preventive treatment of complication in bariatric surgery RYGBP
Author: Jara Mendiola, Juan Manuel
Language: Inglés
Repository: 34
Subject: Design / Stent / biomaterials / biopolymer / biometal / bariatric surgery / degradation rate / AZ31 / PLA / simulation / corrosion rate / product / manufacturing systems / Ingeniería y Ciencias Aplicadas / Engineering & Applied Sciences

Acceder
Title: The analysis and modeling of the feedback process of the labor market: a dynamic model on Portugal’s national economy
Author: Popescu, B. / Vale, S. / Chirita, N.
Language: Inglés
Repository: 73
Subject: Dynamic model / Economic cybernetics / Feedback process / Labor market / Macroeconomics / Regulating process / Stock – Flow diagram / Domínio/Área Científica::Ciências Naturais::Matemáticas / Domínio/Área Científica::Ciências Sociais::Economia e Gestão

Acceder
Title: Theoretical study of the electronic spectrum of disulfur monoxide
Author: Cobos, Carlos Jorge / Croce, Adela Ester
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Absorption spectra / EOM-CCSD / TD-DFT

Acceder
Title: Reactivity of a Pt(100) cluster modified by adsorption of a nickel tetramer
Author: Ortiz, E. V. / Lopez, M. B. / Castro, Eduardo Alberto
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Pt(100) cluster / reactivity

Acceder
Title: Chemical and photochemical properties of chloroharmine derivatives in aqueous solutions
Author: Rasse Suriani, Federico Ariel Osvaldo / Denofrio, María Paula / Yañuk, Juan Gabriel / González, Maria Micaela / Wolcan, Ezequiel / Seifermann, Marco / Erra Balsells, Rosa / Cabrerizo, Franco Martín
Language: Inglés
Repository: 37
Subject: Química / Photochemical / Singlet oxygen / Triplet lifetime / Chloroharmine

AccederAcceder
Title: Comment on "The diatomic dication CuZn²⁺ in the gas phase" [J. Chem. Phys. 135, 034306 (2011)]
Author: Fišer, Jiri / Pis Diez, Reinaldo / Franzreb, Klaus / Alonso, Julio A.
Language: Inglés
Repository: 37
Subject: Química / Cobre / Zinc

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