#### Filter Results:

- Full text PDF available (28)

#### Publication Year

1996

2018

- This year (2)
- Last 5 years (20)
- Last 10 years (38)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

The bifurcation diagrams of periodic orbits are compared for three different potential functions of the ground electronic state of SO . By assigning families of periodic orbits to overtone and… (More)

The observation of an infrared spectrum of the H +3 molecular ion at its dissociation limit by Carrington and co-workers has presented a tremendous challenge to theory. To compute this spectrum it is… (More)

- George S. Fanourgakis, Juan S Medina, Rita Prosmiti
- The journal of physical chemistry. A
- 2012

We use equilibrium molecular dynamics methods to compute the shear and bulk viscosities of the pairwise additive and rigid SPC/E, TIP4P, and TIP4P/2005 water models. For the latter model it was found… (More)

- Sergio López-López, Rita Prosmiti, A García-Vela
- The Journal of chemical physics
- 2004

A wave packet simulation of the ultraviolet photolysis dynamics of Ar-HI(upsilon = 0) is reported. Cluster photodissociation is started from two different initial states, namely, the ground van der… (More)

- Daniel J Arismendi-Arrieta, Álvaro Valdés, Rita Prosmiti
- Chemistry
- 2018

Clathrate hydrates of CO2 have been proposed as potential molecular materials in tackling important environmental problems related to greenhouse gases capture and storage. Despite the increasing… (More)

- Ales Vítek, Daniel J Arismendi-Arrieta, +4 authors Gerardo Delgado-Barrio
- Physical chemistry chemical physics : PCCP
- 2015

Classical parallel-tempering Monte Carlo simulations in the isothermal-isobaric ensemble were carried out for the (H2O)20 and Ar(H2O)20 clusters, over a wide range of temperatures (30-1000 K) and… (More)

- Álvaro Valdés, Rita Prosmiti, Pablo Villarreal, Gerardo Delgado-Barrio
- The Journal of chemical physics
- 2011

Quantum dynamics calculations are reported for the tetra-, and penta-atomic van der Waals He(N)Br(2) complexes using the multiconfiguration time-dependent Hartree (MCTDH) method. The computations are… (More)

- Rocío Rodríguez-Cantano, Tomás González-Lezana, Rita Prosmiti, Gerardo Delgado-Barrio, Pablo Villarreal, Julius Jellinek
- The Journal of chemical physics
- 2015

- Patricia Barragán, Ricardo Pérez de Tudela, Chen Qu, Rita Prosmiti, Joel M. Bowman
- The Journal of chemical physics
- 2013

Diffusion Monte Carlo (DMC) and path-integral Monte Carlo computations of the vibrational ground state and 10 K equilibrium state properties of the H7 (+)/D7 (+) cations are presented, using an ab… (More)

- Jerónimo Sánchez Medina, Rita Prosmiti, Pablo Villarreal, Gerardo Delgado-Barrio, Josè V. Alemán
- Physical review. E, Statistical, nonlinear, and…
- 2011

An approximation to the Fourier transform (FT) of the Kohlrausch function (stretched exponential) with shape parameter 0 < β ≤ 1 is presented by using Havriliak-Negami-like functions. Mathematical… (More)