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Journal of Chemical Theory and Computation
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November 24, 2015
Role of Solvent on Charge Transfer in 7-Aminocoumarin Dyes: New Hints from TD-CAM-B3LYP and State Specific PCM Calculations
Alfonso Pedone
Physical Chemistry Chemical Physics : PCCP
|
March 5, 2010
Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study
Alfonso Pedone, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
September 9, 2014
On the structure of Ce-containing silicophosphate glasses: a core-shell molecular dynamics investigation
Elisa Gambuzzi, Alfonso Pedone
Magnetic Resonance in Chemistry : MRC
|
July 14, 2010
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution
Vincenzo Barone, Paola Cimino, Alfonso Pedone
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 7, 2022
H<sub>2</sub>O<sub>2</sub>adsorption and dissociation on various CeO<sub>2</sub>(111) surface models: a first-principles study
Luca Brugnoli, Shingo Urata, Alfonso Pedone
Journal of Chemical Theory and Computation
|
April 24, 2025
Revisiting Machine Learning Potentials for Silicate Glasses: The Missing Role of Dispersion Interactions
Alfonso Pedone, Marco Bertani, Matilde Benassi
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 2, 2010
Environmental effects in computational spectroscopy: accuracy and interpretation
Alfonso Pedone, Malgorzata Biczysko, Vincenzo Barone
The Journal of Physical Chemistry. B
|
March 22, 2013
Study of the structural role of gallium and aluminum in 45S5 bioactive glasses by molecular dynamics simulations
Gianluca Malavasi, Alfonso Pedone, Maria Cristina Menziani
Molecules (Basel, Switzerland)
|
June 3, 2018
Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1⁻40) Fibrils
Francesco Tavanti, Alfonso Pedone, Maria Cristina Menziani
International Journal of Molecular Sciences
|
August 6, 2020
Insights into the Effect of Curcumin and (-)-Epigallocatechin-3-Gallate on the Aggregation of Aβ(1-40) Monomers by Means of Molecular Dynamics
Francesco Tavanti, Alfonso Pedone, Maria Cristina Menziani
Page
of 7
Search research articles
Search
Showing results (1-10 of 69) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 24, 2015
Role of Solvent on Charge Transfer in 7-Aminocoumarin Dyes: New Hints from TD-CAM-B3LYP and State Specific PCM Calculations
Alfonso Pedone
Physical Chemistry Chemical Physics : PCCP
|
March 5, 2010
Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study
Alfonso Pedone, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
September 9, 2014
On the structure of Ce-containing silicophosphate glasses: a core-shell molecular dynamics investigation
Elisa Gambuzzi, Alfonso Pedone
Magnetic Resonance in Chemistry : MRC
|
July 14, 2010
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution
Vincenzo Barone, Paola Cimino, Alfonso Pedone
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 7, 2022
H<sub>2</sub>O<sub>2</sub>adsorption and dissociation on various CeO<sub>2</sub>(111) surface models: a first-principles study
Luca Brugnoli, Shingo Urata, Alfonso Pedone
Journal of Chemical Theory and Computation
|
April 24, 2025
Revisiting Machine Learning Potentials for Silicate Glasses: The Missing Role of Dispersion Interactions
Alfonso Pedone, Marco Bertani, Matilde Benassi
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 2, 2010
Environmental effects in computational spectroscopy: accuracy and interpretation
Alfonso Pedone, Malgorzata Biczysko, Vincenzo Barone
The Journal of Physical Chemistry. B
|
March 22, 2013
Study of the structural role of gallium and aluminum in 45S5 bioactive glasses by molecular dynamics simulations
Gianluca Malavasi, Alfonso Pedone, Maria Cristina Menziani
Molecules (Basel, Switzerland)
|
June 3, 2018
Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1⁻40) Fibrils
Francesco Tavanti, Alfonso Pedone, Maria Cristina Menziani
International Journal of Molecular Sciences
|
August 6, 2020
Insights into the Effect of Curcumin and (-)-Epigallocatechin-3-Gallate on the Aggregation of Aβ(1-40) Monomers by Means of Molecular Dynamics
Francesco Tavanti, Alfonso Pedone, Maria Cristina Menziani
Page
of 7