Aggregation-induced dissociation of HCl (H2O) 4 below 1 K: The smallest droplet of acid A Gutberlet, G Schwaab, Ö Birer, M Masia, A Kaczmarek, H Forbert, ... Science 324 (5934), 1545-1548, 2009 | 222 | 2009 |
Ethylene Carbonate−Li+: A Theoretical Study of Structural and Vibrational Properties in Gas and Liquid Phases M Masia, M Probst, R Rey The Journal of Physical Chemistry B 108 (6), 2016-2027, 2004 | 125 | 2004 |
Influence of site-dependent pigment–protein interactions on excitation energy transfer in photosynthetic light harvesting E Rivera, D Montemayor, M Masia, DF Coker The Journal of Physical Chemistry B 117 (18), 5510-5521, 2013 | 111 | 2013 |
On ion and molecular polarization of halides in water E Guardia, I Skarmoutsos, M Masia Journal of chemical theory and computation 5 (6), 1449-1453, 2009 | 91 | 2009 |
Hydrogen bonding and related properties in liquid water: A Car–Parrinello molecular dynamics simulation study E Guardia, I Skarmoutsos, M Masia The Journal of Physical Chemistry B 119 (29), 8926-8938, 2015 | 80 | 2015 |
The polarizable point dipoles method with electrostatic damping: Implementation on a model system J Sala, E Guàrdia, M Masia The Journal of chemical physics 133 (23), 2010 | 79 | 2010 |
On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation M Masia, M Probst, R Rey The Journal of chemical physics 123 (16), 2005 | 74 | 2005 |
Aggregation-induced chemical reactions: Acid dissociation in growing water clusters H Forbert, M Masia, A Kaczmarek-Kedziera, NN Nair, D Marx Journal of the American Chemical Society 133 (11), 4062-4072, 2011 | 67 | 2011 |
The behaviour of water confined in zeolites: molecular dynamics simulations versus experiment P Demontis, J Gulín-González, M Masia, GB Suffritti Journal of Physics: Condensed Matter 22 (28), 284106, 2010 | 65 | 2010 |
Dynamical properties of confined water nanoclusters: Simulation study of hydrated zeolite NaA: Structural and vibrational properties P Demontis, J Gulín-González, H Jobic, M Masia, R Sale, GB Suffritti Acs Nano 2 (8), 1603-1614, 2008 | 65 | 2008 |
Connecting structure to infrared spectra of molecular and autodissociated HCl− water aggregates M Masia, H Forbert, D Marx The Journal of Physical Chemistry A 111 (49), 12181-12191, 2007 | 64 | 2007 |
On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge M Masia, M Probst, R Rey The Journal of chemical physics 121 (15), 7362-7378, 2004 | 51 | 2004 |
Computational Study of γ-Butyrolactone and Li+/γ-butyrolactone in Gas and Liquid Phases M Masia, R Rey The Journal of Physical Chemistry B 108 (46), 17992-18002, 2004 | 49 | 2004 |
On the coupling between molecular diffusion and solvation shell exchange KB Møller, R Rey, M Masia, JT Hynes The Journal of chemical physics 122 (11), 2005 | 48 | 2005 |
Mesoionic Complexes of Platinum(II) Derived from “Rollover” Cyclometalation: A Delicate Balance between Pt–C(sp3) and Pt–C(sp2) Bond Cleavage as a Result … L Maidich, G Zuri, S Stoccoro, MA Cinellu, M Masia, A Zucca Organometallics 32 (2), 438-448, 2013 | 45 | 2013 |
Effect of temperature in a closed unstirred Belousov–Zhabotinsky system M Masia, N Marchettini, V Zambrano, M Rustici Chemical physics letters 341 (3-4), 285-291, 2001 | 45 | 2001 |
Ab initio based polarizable force field parametrization M Masia The Journal of chemical physics 128 (18), 2008 | 41 | 2008 |
Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory M Shiga, M Masia The Journal of chemical physics 139 (4), 2013 | 38 | 2013 |
Polarization damping in halide–water dimers M Masia, M Probst, R Rey Chemical physics letters 420 (1-3), 267-270, 2006 | 32 | 2006 |
Estimation of partial charges in small zeolite imidazolate frameworks from density functional theory calculations MK Rana, FG Pazzona, GB Suffritti, P Demontis, M Masia Journal of Chemical Theory and Computation 7 (6), 1575-1582, 2011 | 31 | 2011 |