DODERO, G.; G. ROMAN; E. NOSEDA GRAU; A. DIAZ COMPAÑY; S. SIMONETTI

Theoretica l insigh t of hydrochlorothiazid e an d aspiri n adsorption on potassiu m an d phosphorus dope d carbon nanostructur e as polypill prototyp e

DIAMOND AND RELATED MATERIALS; Lugar: Amsterdam; Año: 2023 vol. 137

DODERO, G.; GRAU, E. NOSEDA; ROMÁN, G.; COMPAÑY, A. DÍAZ; SIMONETTI, S.

Computational insights into Si-doped (10,0) SWCNT as polypill model for cardiovascular disease

DIAMOND AND RELATED MATERIALS; Año: 2022 vol. 124

SPALTRO, AGUSTÍN; PILA, MATÍAS N.; COLASURDO, DIEGO D.; NOSEDA GRAU, EMILIA; ROMÁN, GABRIEL; SIMONETTI, SANDRA; RUIZ, DANILA L.

Removal of paracetamol from aqueous solution by activated carbon and silica. Experimental and computational study

JOURNAL OF CONTAMINANT HYDROLOGY; Año: 2021 vol. 236

NOSEDA GRAU, E.; ROMÁN, G.; JUAN, J.; COMPAÑY, A. DÍAZ; SIMONETTI, S.

Advance on adsorption of amino-functionalized silica nanocarrier for the delivery of therapeutic ampicillin as drug model

INORGANIC CHEMISTRY COMMUNICATIONS; Año: 2021 vol. 123 p. 108346 - 108352

ROMÁN, G.; GRAU, E. NOSEDA; COMPAÑY, A. DÍAZ; JUAN, A.; SOURROUILLE, L.; SIMONETTI, S.

Improvement on adsorption of amino-carboxy-functionalized graphene: A first-principles study

DIAMOND AND RELATED MATERIALS; Año: 2020 vol. 110

ROMÁN, G.; NOSEDA GRAU, E.; DÍAZ COMPAÑY, A.; JUAN, A.; SIMONETTI, S.

pH dependence of dacarbazine adsorption on activated carbon: DFT study

EPL (Europhysics Letters); Año: 2019 vol. 126

GRAU, E. NOSEDA; ROMÁN, G.; COMPAÑY, A. DÍAZ; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

Surface modification vs sorption strength: Study of nedaplatin drug supported on silica

APPLIED SURFACE SCIENCE; Año: 2019 vol. 465 p. 693 - 699

SIMONETTI, SANDRA; GRAU, EMILIA NOSEDA; ROMAN, GABRIEL; ULACCO, SANDRA

Comparative dft study of 5-fluorouracil adsorption on silica and gra-phene for bio-medical applications

Micro and Nanosystems; Año: 2019 vol. 13 p. 246 - 252

GRAU, E. NOSEDA; ROMÁN, G.; COMPAÑY, A. DÍAZ; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

Relevance of silica surface morphology in Ampyra adsorption. Insights from quantum chemical calculations

RSC Advances; Año: 2019 vol. 9 p. 4415 - 4421

ROMÁN, G.; NOSEDA GRAU, E.; DÍAZ COMPAÑY, A.; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug

The European Physical Journal E; Año: 2018 vol. 41