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1

Anomalous melting and solid polymorphism of a modified inverse-power potential

Malescio, Gianpietro, Prestipino, Santi, Saija, Franz

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 680 KB

english, 2011

2

Application of phenomenological freezing and melting indicators to the exp-6 and Gaussian core potentials

Khrapak, Sergey A., Saija, Franz

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 339 KB

english, 2011

3

Minimum-density anomaly and spatial ordering of softly repulsive particles in a narrow channel

Prestipino, Santi, Saija, Franz, Sergi, Alessandro, Giaquinta, Paolo V.

Journal:

Year:

2013

Language:

english

File:

PDF, 975 KB

english, 2013

4

Novel electrochemical route to cleaner fuel dimethyl ether

Cassone, Giuseppe, Pietrucci, Fabio, Saija, Franz, Guyot, François, Sponer, Jiri, Sponer, Judit E., Saitta, A. Marco

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.30 MB

english, 2017

5

Re-entrant Melting in the Gaussian-Core Model: The Entropy Imprint

Paolo V. Giaquinta, Franz Saija

Journal:

Year:

2005

Language:

english

File:

PDF, 77 KB

english, 2005

6

Hexatic Phase in the Two-Dimensional Gaussian-Core Model

Prestipino, Santi, Saija, Franz, Giaquinta, Paolo

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 396 KB

english, 2011

7

Anomalous phase behavior in a model fluid with only one type of local structure

Prestipino, Santi, Saija, Franz, Malescio, Gianpietro

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 549 KB

english, 2010

8

Ab Initio Molecular Dynamics Study of Dissociation of Water under an Electric Field

Saitta, A. Marco, Saija, Franz, Giaquinta, Paolo V.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 473 KB

english, 2012

9

Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles

Saija, Franz, Prestipino, Santi, Giaquinta, Paolo V.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 323 KB

english, 2006

10

Anomalous melting behavior under extreme conditions: Hard matter turning “soft”

Malescio, Gianpietro, Saija, Franz, Prestipino, Santi

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 395 KB

english, 2008

11

A Criterion for Anomalous Melting in Systems with Isotropic Interactions

Malescio, Gianpietro, Saija, Franz

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.97 MB

english, 2011

12

Hexatic phase and water-like anomalies in a two-dimensional fluid of particles with a weakly softened core

Prestipino, Santi, Saija, Franz, Giaquinta, Paolo V.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.39 MB

english, 2012

13

Re-entrant melting of the exp-6 fluid: the role of the repulsion softness

Saija, Franz, Malescio, Gianpietro, Prestipino, Santi

Journal:

Physics and Chemistry of Liquids

Year:

2010

Language:

english

File:

PDF, 431 KB

english, 2010

14

Volume crossover in deeply supercooled water adiabatically freezing under isobaric conditions

Aliotta, Francesco, Giaquinta, Paolo V., Pochylski, Mikolaj, Ponterio, Rosina C., Prestipino, Santi, Saija, Franz, Vasi, Cirino

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 514 KB

english, 2013

15

Phase diagram of the Gaussian-core model

Prestipino, Santi, Saija, Franz, Giaquinta, Paolo V.

Journal:

Physical Review E

Year:

2005

Language:

english

File:

PDF, 185 KB

english, 2005

16

The zero-temperature phase diagram of soft-repulsive particle fluids

Prestipino, Santi, Saija, Franz, Malescio, Gianpietro

Journal:

Year:

2009

Language:

english

File:

PDF, 1.11 MB

english, 2009

17

Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law potentials

Prestipino, Santi, Saija, Franz, Giaquinta, Paolo V.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 297 KB

english, 2005

18

Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force

Saija, Franz, Prestipino, Santi, Malescio, Gianpietro

Journal:

Physical Review E

Year:

2009

Language:

english

File:

PDF, 286 KB

english, 2009

19

Entropy from Correlations in TIP4P Water

Giuffré, Emanuela, Prestipino, Santi, Saija, Franz, Saitta, A. Marco, Giaquinta, Paolo V.

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 783 KB

english, 2010

20

Proton Conduction in Water Ices under an Electric Field

Cassone, Giuseppe, Giaquinta, Paolo V., Saija, Franz, Saitta, A. Marco

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 945 KB

english, 2014

21

Effect of Electric Field Orientation on the Mechanical and Electrical Properties of Water Ices: An Ab-initio Study

Cassone, Giuseppe, Giaquinta, Paolo V., Saija, Franz, Saitta, A. Marco

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.42 MB

english, 2014

22

Entropy-based measure of structural order in water

Esposito, Rubens, Saija, Franz, Marco Saitta, A., Giaquinta, Paolo V.

Journal:

Physical Review E

Year:

2006

Language:

english

File:

PDF, 114 KB

english, 2006

23

High-pressure phase diagram of the exp-6 model: The case of Xe

Saija, Franz, Prestipino, Santi

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 144 KB

english, 2005

24

Statistical entropy and density maximum anomaly in liquid water

Saija, Franz, Saitta, A. Marco, Giaquinta, Paolo V.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 269 KB

english, 2003

25

Reply to Bada and Cleaves: Ab initio free-energy landscape of Miller-like prebiotic reactions: Fig. 1.

Saitta, Antonino Marco, Saija, Franz, Pietrucci, Fabio, Guyot, François

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 767 KB

english, 2015

26

Liquid methanol under a static electric field

Cassone, Giuseppe, Giaquinta, Paolo V., Saija, Franz, Saitta, A. Marco

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

27

Hexatic phase and cluster crystals of two-dimensional GEM4 spheres

Prestipino, Santi, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.96 MB

english, 2014

28

An entropy-based approach to the freezing of the generalized exponential model

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 61 KB

english, 2008

29

Virial coefficients and demixing in the Asakura–Oosawa model

López de Haro, Mariano, Tejero, Carlos F., Santos, Andrés, Yuste, Santos B., Fiumara, Giacomo, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 572 KB

english, 2015

30

The effective colloid interaction in the Asakura–Oosawa model. Assessment of non-pairwise terms from the virial expansion

Santos, Andrés, López de Haro, Mariano, Fiumara, Giacomo, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 703 KB

english, 2015

31

Fourth virial coefficients of asymmetric nonadditive hard-disk mixtures

Saija, Franz, Santos, Andrés, Yuste, Santos B., López de Haro, Mariano

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 602 KB

english, 2012

32

Theoretical and computer simulation study of phase coexistence of nonadditive hard-disk mixtures

Fiumara, Giacomo, Pandaram, Owen D., Pellicane, Giuseppe, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

33

Phase diagram of Gaussian-core nematics

Prestipino, Santi, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 165 KB

english, 2007

34

Density and structural anomalies in soft-repulsive dimeric fluids

Munao', Gianmarco, Saija, Franz

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.85 MB

english, 2016

35

Prebiotic synthesis of nucleic acids and their building blocks at the atomic level – merging models and mechanisms from advanced computations and experiments

Sponer, Judit E., Szabla, Rafal, Góra, Robert Władysław, Saitta, A. Marco, Pietrucci, Fabio, Saija, Franz, Di Mauro, Ernesto, Saladino, Raffaele, Ferus, Martin, Civiš, Svatopluk, Sponer, Jiri

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.98 MB

english, 2016

36

Ab initio molecular dynamics study of an aqueous NaCl solution under an electric field

Cassone, Giuseppe, Creazzo, Fabrizio, Giaquinta, Paolo V., Saija, Franz, Marco Saitta, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.57 MB

english, 2016

37

One-step electric-field driven methane and formaldehyde synthesis from liquid methanol

Cassone, Giuseppe, Pietrucci, Fabio, Saija, Franz, Guyot, François, Saitta, A. Marco

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.59 MB

english, 2017

38

Stability of 2′,3′ and 3′,5′ cyclic nucleotides in formamide and in water: a theoretical insight into the factors controlling the accumulation of nucleic acid building blocks in a prebiotic pool

Cassone, Giuseppe, Šponer, Jiří, Saija, Franz, Di Mauro, Ernesto, Marco Saitta, A., Šponer, Judit E.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.29 MB

english, 2017

39

Integral equation study of soft-repulsive dimeric fluids

Munaò, Gianmarco, Saija, Franz

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 2.16 MB

english, 2017

40

Supercooled water escaping from metastability

Aliotta, Francesco, Giaquinta, Paolo V., Ponterio, Rosina C., Prestipino, Santi, Saija, Franz, Salvato, Gabriele, Vasi, Cirino

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 500 KB

english, 2015

41

Ionic diffusion and proton transfer in aqueous solutions of alkali metal salts

Cassone, Giuseppe, Creazzo, Fabrizio, Giaquinta, Paolo V., Sponer, Jiri, Saija, Franz

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.68 MB

english, 2017

42

Virial coefficients, equation of state, and demixing of binary asymmetric nonadditive hard-disk mixtures

Fiumara, Giacomo, Saija, Franz, Pellicane, Giuseppe, López de Haro, Mariano, Santos, Andrés, Yuste, Santos B.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

43

Synthesis of (D)-erythrose from glycolaldehyde aqueous solutions under electric field

Cassone, Giuseppe, Sponer, Jiri, Šponer, Judit, Pietrucci, Fabio, Saitta, A. Marco, Saija, Franz

Journal:

Chemical Communications

Year:

2018

Language:

english

File:

PDF, 3.96 MB

english, 2018

44

Mobilities of iodide anions in aqueous solutions for applications in natural dye-sensitized solar cells

Cassone, Giuseppe, Calogero, Giuseppe, Sponer, Jiri, Saija, Franz

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.01 MB

english, 2018

45

SERS and DFT study of indigo adsorbed on silver nanostructured surface

Nardo, Viviana Mollica, Sinopoli, Alessandro, Kabalan, Lara, Ponterio, Rosina C., Saija, Franz, Trusso, Sebastiano

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2018

Language:

english

File:

PDF, 676 KB

english, 2018

46

Stability of hydrolytic arsenic species in aqueous solutions: As 3+ vs. As 5+

Cassone, Giuseppe, Chillé, Donatella, Foti, Claudia, Giuffrè, Ottavia, Ponterio, Rosa, Sponer, Jiri, Saija, Franz

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 966 KB

english, 2018

47

Ionic diffusion and proton transfer of MgCl 2 and CaCl 2 aqueous solutions: an ab initio study under electric field

Cassone, Giuseppe, Creazzo, Fabrizio, Saija, Franz

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 1.74 MB

english, 2018

48

Dust Motions in Magnetized Turbulence: Source of Chemical Complexity

Cassone, Giuseppe, Saija, Franz, Sponer, Jiri, Sponer, Judit E., Ferus, Martin, Krus, Miroslav, Ciaravella, Angela, Jiménez-Escobar, Antonio, Cecchi-Pestellini, Cesare

Journal:

The Astrophysical Journal

Year:

2018

Language:

english

File:

PDF, 914 KB

english, 2018

49

Erratum: “Virial coefficients and demixing in the Asakura–Oosawa model” [J. Chem. Phys. 142 , 014902 (2015)]

López de Haro, Mariano, Tejero, Carlos F., Santos, Andrés, Yuste, Santos B., Fiumara, Giacomo, Saija, Franz

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 254 KB

english, 2015

50

Residual Multiparticle Entropy for a Fractal Fluid of Hard Spheres

Santos, Andrés, Saija, Franz, Giaquinta, Paolo

Journal:

Year:

2018

Language:

english

File:

PDF, 440 KB

english, 2018

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