Departament de Física

Rossend Rey i Oriol

Associate professor
Campus Nord (UPC), Edifici B4-B5, Despatx B5-205
Jordi Girona, 1-3
08034 Barcelona

Telèfon: +34 934017474
E-Mail: rosendo.reyupc.edu
Web del grup de recerca: http://simcon.upc.edu/en

1- Enhancement of swimmer diffusion through regular kicks: analytic mapping of a scale-independent parameter space
Jurado Romero, A.; Calero, C.; Rey, R.
Journal of statistical mechanics 2024, 6, article 063201 (2024)

2- High energy vibrational excitations of nitromethane in liquid water
Jurado Romero, A.; Calero, C.; Sibert III, E.; Rey, R.
The Journal of Chemical Physics 158, 194501 (2023)

3- Self-thermophoresis at the nanoscale using light induced solvation dynamics
Rey, R. ; Calero, C. and Sibert III, E.
Nanoscale 12, 7557-7562 (2020)

4- Solvation dynamics in water: 4: on the initial regime of solvation relaxation
Rey, R. ; Hynes, J.
Journal of Physical Chemistry B 124, 7668-7681 (2020)

5- Solvation dynamics in liquid water: III: energy fluxes and structural changes
Rey, R. ; Hynes, J.
Journal of Physical Chemistry B 121, 1377-1385 (2017)

6- Translational versus rotational energy flow in water solvation dynamics
Rey, R. ; Hynes, J.
Chemical Physics Letters 683, 483-487 (2017)

7- Solvation dynamics in water: 2. Energy fluxes on excited- and ground-state surfaces
Rey, R. ; Hynes, J.
Journal of Physical Chemistry B 120, 11287-11297 (2016)

8- Solvation dynamics in liquid water: 1: ultrafast energy fluxes
Rey, R. ; Hynes, J.
Journal of Physical Chemistry B 119, 7558-7570 (2015)

9- Generalized equipartition theorem and confining walls
Rey, R.
American journal of physics 83, 539-544 (2015)

10- Ultrafast librational relaxation of H2O in liquid water
Petersen, J. ; Moller, K.B. ; Rey, R. ; Hynes, J.
Journal of Physical Chemistry B 117, 4541-4552 (2013)

11- Tracking energy transfer from excited to accepting modes : application to water bend vibrational relaxation
Rey, R. ; Hynes, J.
Physical Chemistry Chemical Physics 14, 6332-6342 (2012)

12- Reorientation and allied dynamics in water and aqueous solutions
Laage, D. ; Stirnemann, G. ; Sterpone, F. ; Rey, R. ; Hynes, J.
Annual review of physical chemistry 62, 395-416 (2011)

13- Ultrafast energy transfer from the intramolecular bending vibration to librations in liquid water
Ingrosso, F. ; Rey, R. ; Elsaesser, T. ; Hynes, J.
Journal of Physical Chemistry A 113, 6657-6665 (2009)

14- "Pathways for H2O Bend Vibrational Relaxation in Liquid Water"
Rey, R. ; Ingrosso, F. ; Elsaesser, T. ; Hynes, J.
Journal of Physical Chemistry A 113, 8948-8962 (2009)

15- "Is there a common orientational order for the liquid phase of tetrahedral molecules?"
Rey, R.
Journal of Chemical Physics 131, 4502-4502 (2009)

16- "Orientational order and rotational relaxation in the plastic crystal phase of tetrahedral molecules"
Rey, R.
Journal of Physical Chemistry B 112, 344-357 (2008)

17- "Thermodynamic state dependence of orientational order and rotational relaxation in carbon tetrachloride"
Rey, R.
Journal of Chemical Physics 129, 224509 (2008)

18- "Quantitative characterization of orientational order in liquid carbon tetrachloride"
Rey, R.
Journal of Chemical Physics 126, 164506 (2007)

19- "Polarization damping in halide-water dimers"
Masia, M. ; Probst, M. ; Rey, R.
Chemical Physics Letters 420, 267-270 (2006)

20- "On the ultrafast infrared spectroscopy of anion hydration shell hydrogen bond dynamics"
Nigro, B. ; Laage, D. ; Rey, R. ; Hynes, J.
Journal of Physical Chemistry A 110, 11237-11243 (2006)

21- "On the Coupling between Molecular Diffusion and Solvation Shell Exchange"
Møller, K. ; Rey, R. ; Masia, M. ; Hynes, J.
Journal of Chemical Physics 122, 114508 (2005)

22- "Diffusion coefficient of ionic solvation shell molecules"
Masia, M. ; Rey, R.
Journal of Chemical Physics 122, 4502 (2005)

23- "On the Performance of Molecular Polarization Methods Close to a Point Charge"
Masia, M. ; Probst, M. ; Rey, R.
Computer physics communications 169, 331-334 (2005)

24- "On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation"
Masia, M. ; Probst, M. ; Rey, R.
Journal of Chemical Physics 123, 164505 (2005)

25- "Hydrogen bond dynamics in water and ultrafast infrared spectroscopy: a theoretical study"
Møller, K. ; Rey, R. ; Hynes, J.
Journal of Physical Chemistry A 108, 1275-1289 (2004)

26- "Ethylene carbonate-Li+: a theoretical study of structural and vibrational properties in gas and liquid phases"
Masia, M. ; Probst, M. ; Rey, R.
Journal of Physical Chemistry B 108, 2016-2027 (2004)

27- "Ultrafast vibrational population dynamics of water and related systems: a theoretical perspective"
Rey, R. ; Møller, K. ; Hynes, J.
Chemical Reviews 104, 1915-1928 (2004)

28- "On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge"
Masia, M. ; Probst, M. ; Rey, R.
Journal of Chemical Physics 121, 7362-7378 (2004)

29- "Computational study of g-butyrolactone and Li+/g-butyrolactone in gas and liquid phases"
Masia, M. ; Rey, R.
Journal of Physical Chemistry B 108, 17992-18002 (2004)

30- "Reaction rate theory approach to thermodynamic state dependence of hydration shell exchange for Li+(aq)"
Masia, M. ; Rey, R.
Journal of Physical Chemistry B 107, 2651-2659 (2003)

31- "Rate and mechanisms of water exchange around for Li+(aq) from MD simulations"
Spangberg, D. ; Rey, R. ; Hynes, J. ; Hermansson, K.
Journal of Physical Chemistry B 107, 4470-4477 (2003)

32- "Vibrational relaxation in liquid chloroform following ultrafast excitation of the CH fundamental"
Sibert, I. ; Rey, R.
Journal of Chemical Physics 116, 237-257 (2002)

33- "Hydrogen bond dynamics in water and ultrafast infrared spectroscopy"
Rey, R. ; Møller, K. ; Hynes, J.
Journal of Physical chemistry A 106, 11993-11996 (2002)

34- "Collision induced absorption in liquid carbon tetrachloride"
Llanta, E. ; Rey, R.
Chemical Physics Letters 340, 173-178 (2001)

35- "Fluctuating charge study of polarization effects in chlorinated organic liquids"
Llanta, E. ; Ando, K. ; Rey, R.
Journal of Physical Chemistry B 105, 7783-7791 (2001)

36- "X-ray diffraction by molecular liquids vs molecular dynamics calculations on methylchloromethane compounds: (CH3)4-nCCln"
Rey, R. ; Pardo, L. ; Llanta, E. ; Ando, K. ; Lopez, D. ; Tamarit, J. Ll. ; Del Barrio, M.
Journal of Chemical Physics 112, 7505-7517 (2000)

37- "Isochoric temperature differentials from the computed density of the extended simple point charge model of water"
Rey, R.
Molecular simulation 22, 169-182 (1999)

38- "Vibrational phase and energy relaxation of CN- in water"
Rey, R. ; Hynes, J.
Journal of Chemical Physics 108, 142-153 (1998)

39- "Transformation from internal coordinates to cartesian displacements in the Eckart frame for a triatomic molecule"
Rey, R.
Chemical physics 229, 217-222 (1998)

40- "Vibrational energy relaxation of hod in d20"
Rey, R. ; Hynes, J.
Journal of Chemical Physics 104, 2356-2368 (1996)

41- "Rate constants in the spatial diffusion regime for a model based on the generalized langevin equation"
Rey, R.
Journal of Chemical Physics 104, 1966-1972 (1996)

42- "Hydration shell exchange kinetics: an md study for na+(aq)"
Rey, R.
Journal of Physical Chemistry 100, 5611-5615 (1996)

43- "Hydration shell exchange dynamics for na+ in water"
Rey, R.
Journal of Physics: Condensed Matter 8, 9411-9416 (1996)

44- "Friction kernels for the relative dynamics"
Rey, R. ; Guardia, E.
Journal of Chemical Physics 97, 1343-1352 (1992)

45- Dynamical aspects of the Na+ - Cl- ion pair association in water
Rey, R. ; Guardia, E.
Journal of Physical Chemistry 96, 4712-4718 (1992)

46- "Statistical errors in constrained md calculations"
Guardia, E. ; Rey, R.
Molecular Simulation 9, 201-211 (1992)

47- "Generalized langevin dynamics simulation of activated processes in solution: i"
Rey, R. ; Guardia, E.
Journal of Chemical Physics 97, 8276-8284 (1992)

48- "Na+-Na+ and Cl--Cl- ion pairs in water: mean force potentials by constrained molecular dynamics"
Guardia, E. ; Rey, R.
Journal of Chemical Physics 95, 2823-2831 (1991)

49- "Potential of mean force by constrained molecular dynamics: a sodium-chloride ion-pair in water"
Guardia, E. ; Rey, R.
Chemical Physics 155, 187-195 (1991)