Eva Gonzalez Noya
Eva Gonzalez Noya
Instituto de Química-Física Rocasolano (CSIC)
Verifierad e-postadress på iqfr.csic.es
Titel
Citeras av
Citeras av
År
Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins
C Vega, E Sanz, JLF Abascal, EG Noya
Journal of Physics: Condensed Matter 20 (15), 153101, 2008
2952008
Controlling crystallization and its absence: proteins, colloids and patchy models
JPK Doye, AA Louis, IC Lin, LR Allen, EG Noya, AW Wilber, HC Kok, ...
Physical Chemistry Chemical Physics 9 (18), 2197-2205, 2007
2002007
Reversible self-assembly of patchy particles into monodisperse icosahedral clusters
AW Wilber, JPK Doye, AA Louis, EG Noya, MA Miller, P Wong
The Journal of chemical physics 127 (8), 08B618, 2007
1962007
Revisiting the Frenkel-Ladd method to compute the free energy of solids: The Einstein molecule approach
C Vega, EG Noya
The Journal of chemical physics 127 (15), 154113, 2007
1452007
Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
HL Pi, JL Aragones, C Vega, EG Noya, JLF Abascal, MA Gonzalez, ...
Molecular Physics 107 (4-6), 365-374, 2009
1422009
The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry
EG Noya, C Vega, JPK Doye, AA Louis
The Journal of chemical physics 132 (23), 234511, 2010
1072010
Heat capacity of water: A signature of nuclear quantum effects
C Vega, MM Conde, C McBride, JLF Abascal, EG Noya, R Ramírez, ...
The Journal of chemical physics 132 (4), 046101, 2010
982010
Determination of the melting point of hard spheres from direct coexistence simulation methods
EG Noya, C Vega, E de Miguel
The Journal of chemical physics 128 (15), 154507, 2008
982008
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
EG Noya, JPK Doye, DJ Wales, A Aguado
The European Physical Journal D 43 (1), 57-60, 2007
942007
Phase diagram of model anisotropic particles with octahedral symmetry
EG Noya, C Vega, JPK Doye, AA Louis
The Journal of chemical physics 127 (5), 054501, 2007
902007
Thermal conductivity of carbon nanotube peapods
EG Noya, D Srivastava, LA Chernozatonskii, M Menon
Physical Review B 70 (11), 115416, 2004
842004
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
A Reinhardt, JPK Doye, EG Noya, C Vega
The Journal of chemical physics 137 (19), 194504, 2012
832012
Structural transitions in the 309-atom magic number Lennard-Jones cluster
EG Noya, JPK Doye
The Journal of chemical physics 124 (10), 104503, 2006
762006
The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase
JL Aragones, MM Conde, EG Noya, C Vega
Physical Chemistry Chemical Physics 11 (3), 543-555, 2009
702009
Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005
C McBride, C Vega, EG Noya, R Ramírez, LM Sesé
The Journal of chemical physics 131 (2), 024506, 2009
692009
Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins
EG Noya, MM Conde, C Vega
The Journal of chemical physics 129 (10), 104704, 2008
692008
Theoretical study of the melting of aluminum clusters
EG Noya, JPK Doye, F Calvo
Physical Review B 73 (12), 125407, 2006
612006
Heat-pulse rectification in carbon nanotube Y junctions
EG Noya, D Srivastava, M Menon
Physical Review B 79 (11), 115432, 2009
562009
Density-functional calculations of the structures, binding energies, and spin multiplicities of Fe–C clusters
EG Noya, RC Longo, LJ Gallego
The Journal of chemical physics 119 (21), 11130-11134, 2003
562003
Fully unconstrained density-functional study of the structures and magnetic moments of small Mn n clusters (n= 2–7)
RC Longo, EG Noya, LJ Gallego
Physical Review B 72 (17), 174409, 2005
492005
Systemet kan inte utföra åtgärden just nu. Försök igen senare.
Artiklar 1–20