Francesca Mocci
Title
Cited by
Cited by
Year
Partial atomic charges and their impact on the free energy of solvation
JPM Jńmbeck, F Mocci, AP Lyubartsev, A Laaksonen
Journal of computational chemistry 34 (3), 187-197, 2013
532013
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
402012
Molecular dynamics simulations of A Ě 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
362003
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
342007
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), 124503, 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
192004
Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: Evaluation of water and ion models
M Rebič, A Laaksonen, J Sponer, J Uličný, F Mocci
The Journal of Physical Chemistry B 120 (30), 7380-7391, 2016
182016
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
182015
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
162014
Non-uniform FFT and its applications in particle simulations
YL Wang, F Hedman, M Porcu, F Mocci, A Laaksonen
162014
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
152016
Insight into the dynamics of lanthanide-DTPA complexes as revealed by oxygen-17 NMR
L Fusaro, F Mocci, RN Muller, M Luhmer
Inorganic chemistry 51 (15), 8455-8461, 2012
142012
NMR, Calorimetry, and Computational Studies of Aqueous Solutions of N-Methyl-2-pyrrolidone
M Usula, S Porcedda, F Mocci, L Gontrani, R Caminiti, ...
The Journal of Physical Chemistry B 118 (35), 10493-10502, 2014
132014
On the Fluxional Behavior of Dess−Martin Periodinane: A DFT and 17O NMR Study
L Fusaro, M Luhmer, G Cerioni, F Mocci
The Journal of organic chemistry 74 (22), 8818-8821, 2009
132009
Rotation dynamics do not determine the unexpected isotropy of methyl radical EPR spectra
NP Benetis, Y Dmitriev, F Mocci, A Laaksonen
The Journal of Physical Chemistry A 119 (35), 9385-9404, 2015
112015
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 ┼gren, J Kongsted, A Laaksonen, F Mocci
Physical Chemistry Chemical Physics 15 (5), 1621-1631, 2013
112013
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 ┼gren, J Kongsted, A Laaksonen, F Mocci
Physical Chemistry Chemical Physics 15 (5), 1621-1631, 2013
112013
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—Journal of Carbon Research 5 (4), 60, 2019
102019
Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations
G Todde, S Hovm÷ller, A Laaksonen, F Mocci
Proteins: Structure, Function, and Bioinformatics 82 (10), 2353-2363, 2014
102014
Active-sodium-promoted reductive cleavage of halogenated benzoic acids
U Azzena, G Dettori, S Mocci, L Pisano, G Cerioni, F Mocci
Tetrahedron 66 (47), 9171-9174, 2010
102010
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Articles 1–20