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Francesca Mocci
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Microstructural and dynamical heterogeneities in ionic liquids
YL Wang, B Li, S Sarman, F Mocci, ZY Lu, J Yuan, A Laaksonen, ...
Chemical reviews 120 (13), 5798-5877, 2020
3152020
On the emission properties of carbon dots: Reviewing data and discussing models
CM Carbonaro, R Corpino, M Salis, F Mocci, SV Thakkar, C Olla, PC Ricci
C 5 (4), 60, 2019
1472019
Partial atomic charges and their impact on the free energy of solvation
JPM Jämbeck, F Mocci, AP Lyubartsev, A Laaksonen
Journal of computational chemistry 34 (3), 187-197, 2013
772013
Insight into nucleic acid counterion interactions from inside molecular dynamics simulations is “worth its salt”
F Mocci, A Laaksonen
Soft Matter 8 (36), 9268-9284, 2012
582012
Carbon nanodots from an in silico perspective
F Mocci, L de Villiers Engelbrecht, C Olla, A Cappai, MF Casula, C Melis, ...
Chemical Reviews 122 (16), 13709-13799, 2022
512022
Solution Structure of Some λ3 Iodanes:  An 17O NMR and DFT Study
F Mocci, G Uccheddu, A Frongia, G Cerioni
The Journal of Organic Chemistry 72 (11), 4163-4168, 2007
442007
Molecular dynamics simulations of A ˇ T‐rich oligomers: Sequence‐specific binding of Na+ in the minor groove of B‐DNA
F Mocci, G Saba
Biopolymers: Original Research on Biomolecules 68 (4), 471-485, 2003
432003
The structural organization of N-methyl-2-pyrrolidone+ water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study
M Usula, F Mocci, FC Marincola, S Porcedda, L Gontrani, R Caminiti
The Journal of Chemical Physics 140 (12), 2014
392014
Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: Evaluation of water and ion models
M Rebič, A Laaksonen, J Šponer, J Uličný, F Mocci
The Journal of Physical Chemistry B 120 (30), 7380-7391, 2016
362016
Electrochemically driven efficient enzymatic conversion of CO2 to formic acid with artificial cofactors
Z Zhang, T Vasiliu, F Li, A Laaksonen, F Mocci, X Ji
Journal of CO2 Utilization 52, 101679, 2021
302021
Multiscale simulations of human telomeric G-quadruplex DNA
M Rebic, F Mocci, A Laaksonen, J Ulicny
The Journal of Physical Chemistry B 119 (1), 105-113, 2015
292015
Ionic liquids for CO2 electrochemical reduction
F Li, F Mocci, X Zhang, X Ji, A Laaksonen
Chinese Journal of Chemical Engineering 31, 75-93, 2021
272021
Inhomogeneity in Ethylammonium Nitrate–Acetonitrile Binary Mixtures: The Highest “Low q Excess” Reported to Date
A Mariani, R Caminiti, F Ramondo, G Salvitti, F Mocci, L Gontrani
The Journal of Physical Chemistry Letters 8 (15), 3512-3522, 2017
272017
Thermo-physical properties of ammonium-based ionic liquid+ N-methyl-2-pyrrolidone mixtures at 298.15 K
M Usula, E Matteoli, F Leonelli, F Mocci, FC Marincola, L Gontrani, ...
Fluid Phase Equilibria 383, 49-54, 2014
272014
Molecular Dynamics Investigation of 23Na NMR Relaxation in Oligomeric DNA Aqueous Solution
F Mocci, A Laaksonen, A Lyubartsev, G Saba
The Journal of Physical Chemistry B 108 (41), 16295-16302, 2004
262004
Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4+
S Perepelytsya, J Uličnũ, A Laaksonen, F Mocci
Nucleic acids research 47 (12), 6084-6097, 2019
252019
Insight into the Molecular Model in Carbon Dots through Experimental and Theoretical Analysis of Citrazinic Acid in Aqueous Solution
A Cappai, C Melis, L Stagi, PC Ricci, F Mocci, CM Carbonaro
The Journal of Physical Chemistry C 125 (8), 4836-4845, 2021
232021
A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution
K Aidas, H Ågren, J Kongsted, A Laaksonen, F Mocci
Physical Chemistry Chemical Physics 15 (5), 1621-1631, 2013
232013
Drying oil detected in mid-third Millennium BC Mesopotamian clay artifacts: Raman spectroscopy and DFT simulation study
D Chiriu, PC Ricci, CM Carbonaro, D Nadali, A Polcaro, F Mocci
Microchemical Journal 124, 386-395, 2016
222016
Cholinium-based ionic liquids from hydroxycinnamic acids as new promising bioactive agents: A combined experimental and theoretical investigation
M Demurtas, V Onnis, P Zucca, A Rescigno, JI Lachowicz, ...
ACS Sustainable Chemistry & Engineering 9 (7), 2975-2986, 2021
202021
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