Các bài viết có thể truy cập công khai - Alfonso PEDONETìm hiểu thêm
Không có ở bất kỳ nơi nào: 13
Role of solvent on charge transfer in 7-aminocoumarin dyes: new hints from TD-CAM-B3LYP and state specific PCM calculations
A Pedone
Journal of Chemical Theory and Computation 9 (9), 4087-4096, 2013
Các cơ quan ủy nhiệm: Government of Italy
Assessment of exchange-correlation functionals in reproducing the structure and optical gap of organic-protected gold nanoclusters
F Muniz-Miranda, MC Menziani, A Pedone
The Journal of Physical Chemistry C 118 (14), 7532-7544, 2014
Các cơ quan ủy nhiệm: Government of Italy
Computational protocol for modeling thermochromic molecular crystals: salicylidene aniline as a case study
D Presti, F Labat, A Pedone, MJ Frisch, HP Hratchian, I Ciofini, ...
Journal of chemical theory and computation 10 (12), 5577-5585, 2014
Các cơ quan ủy nhiệm: Government of Italy
Computational interpretation of 23Na MQMAS NMR spectra: a comprehensive investigation of the Na environment in silicate glasses
E Gambuzzi, T Charpentier, MC Menziani, A Pedone
Chemical Physics Letters 612, 56-61, 2014
Các cơ quan ủy nhiệm: Government of Italy
Models of aged magnesium–silicate–hydrate cements based on the lizardite and talc crystals: a periodic DFT-GIPAW investigation
A Pedone, F Palazzetti, V Barone
The Journal of Physical Chemistry C 121 (13), 7319-7330, 2017
Các cơ quan ủy nhiệm: Government of Italy
Local versus Average Structure in LaSrAl3O7: A NMR and DFT Investigation
C Ferrara, C Tealdi, A Pedone, MC Menziani, AJ Rossini, G Pintacuda, ...
The Journal of Physical Chemistry C 117 (45), 23451-23458, 2013
Các cơ quan ủy nhiệm: Fondazione Cariplo
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases
V Barone, M Biczysko, J Bloino, L Carta, A Pedone
Computational and Theoretical Chemistry 1037, 35-48, 2014
Các cơ quan ủy nhiệm: Government of Italy
New insights into the bioactivity of SiO2–CaO and SiO2–CaO–P2O5 sol–gel glasses by molecular dynamics simulations
G Malavasi, L Menabue, MC Menziani, A Pedone, AJ Salinas, ...
Journal of sol-gel science and technology 67, 208-219, 2013
Các cơ quan ủy nhiệm: Government of Spain
Computational insight into the interaction of cytochrome c with wet and pvp-coated ag surfaces
F Tavanti, A Pedone, P Matteini, MC Menziani
The Journal of Physical Chemistry B 121 (41), 9532-9540, 2017
Các cơ quan ủy nhiệm: Government of Italy
Role of specific solute–solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives
M Fortino, E Collini, A Pedone, J Bloino
Physical Chemistry Chemical Physics 22 (19), 10981-10994, 2020
Các cơ quan ủy nhiệm: Government of Italy
Electronic and optical properties of the Au22[1,8-bis(diphenylphosphino) octane]6 nanoclusters disclosed by DFT and TD-DFT calculations
F Muniz-Miranda, D Presti, MC Menziani, A Pedone
Theoretical Chemistry Accounts 135, 1-9, 2016
Các cơ quan ủy nhiệm: Government of Italy
Reducibility of Ag-and Cu-Modified Ultrathin Epitaxial Cerium Oxide Films
G Gasperi, L Brugnoli, A Pedone, MC Menziani, S Valeri, P Luches
The Journal of Physical Chemistry C 123 (22), 13702-13711, 2019
Các cơ quan ủy nhiệm: Government of Italy
Reprint of “Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test …
V Barone, M Biczysko, J Bloino, L Carta, A Pedone
Computational and Theoretical Chemistry 1040, 144-157, 2014
Các cơ quan ủy nhiệm: Government of Italy
Có tại một số nơi: 39
Evidence of Catalase Mimetic Activity in Ce3+/Ce4+ Doped Bioactive Glasses
V Nicolini, E Gambuzzi, G Malavasi, L Menabue, MC Menziani, ...
The Journal of Physical Chemistry B 119 (10), 4009-4019, 2015
Các cơ quan ủy nhiệm: European Commission
Competitive binding of proteins to gold nanoparticles disclosed by molecular dynamics simulations
F Tavanti, A Pedone, MC Menziani
The Journal of Physical Chemistry C 119 (38), 22172-22180, 2015
Các cơ quan ủy nhiệm: Government of Italy
Probing silicon and aluminium chemical environments in silicate and aluminosilicate glasses by solid state NMR spectroscopy and accurate first-principles calculations
E Gambuzzi, A Pedone, MC Menziani, F Angeli, D Caurant, T Charpentier
Geochimica et Cosmochimica Acta 125, 170-185, 2014
Các cơ quan ủy nhiệm: Government of Italy
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases
F Muniz-Miranda, A Pedone, G Battistelli, M Montalti, J Bloino, V Barone
Journal of Chemical Theory and Computation 11 (11), 5371-5384, 2015
Các cơ quan ủy nhiệm: Government of Italy
A closer look into the ubiquitin corona on gold nanoparticles by computational studies
F Tavanti, A Pedone, MC Menziani
New Journal of Chemistry 39 (4), 2474-2482, 2015
Các cơ quan ủy nhiệm: Government of Italy
The effect of composition on structural, thermal, redox and bioactive properties of Ce-containing glasses
V Nicolini, E Varini, G Malavasi, L Menabue, MC Menziani, G Lusvardi, ...
Materials & Design 97, 73-85, 2016
Các cơ quan ủy nhiệm: European Commission
SERS, XPS and DFT study of xanthine adsorbed on citrate-stabilized gold nanoparticles
S Caporali, F Muniz-Miranda, A Pedone, M Muniz-Miranda
Sensors 19 (12), 2700, 2019
Các cơ quan ủy nhiệm: Government of Italy
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