Real-time dissociation dynamics of the Ne₂Br₂ van der Waals complex

Jordan M. Pio, Molly A. Taylor, Wytze E. van der Veer, Craig R. Bieler, Jose A. Cabrera, and Kenneth C. Janda

The vibrational predissociation (VP) of the Ne₂Br₂ van der Waals complex is characterized using time- and frequency-resolved pump-probe spectroscopy.

J. Chem. Phys. 133, 014305 (2010)

Ice crystallization in water’s “no-man’s land”

Emily B. Moore and Valeria Molinero

The crystallization of water at 180 K is studied through large-scale molecular dynamics simulations with the monatomic water model mW. This temperature is in the middle of water’s “no-man’s land,” where rapid ice crystallization prevents the elucidation of the structure of liquid water and its transformation into ice with state of the art experimental methods.

J. Chem. Phys. 132, 244504 (2010)

Two-dimensional wetting: The role of atomic steps on the nucleation of thin water films on BaF₂(111) at ambient conditions

M. Cardellach, A. Verdaguer, J. Santiso, and J. Fraxedas

The interaction of water with freshly cleaved BaF₂(111) surfaces at ambient conditions (room temperature and under controlled humidity) is studied using scanning force microscopy in different operation modes. Results prove that morphological defects such as steps can be crucial in improving two-dimensional monolayer wetting and stabilization of multilayer grown on surfaces that show good lattice mismatch with hexagonal ice.

J. Chem. Phys. 132, 234708 (2010)

EPR detected polarization transfer between Gd³⁺ and protons at low temperature and 3.3 T: The first step of dynamic nuclear polarization

Vijayasarathi Nagarajan, Yonatan Hovav, Akiva Feintuch, Shimon Vega, and Daniella Goldfarb

The spin dynamics of the electron spin under the conditions of the “solid effect” DNP are studied and the effect on the intensity of the echo detected signal of the power and length of the MW pump pulse positioned at the proton associated EPR “forbidden” transition is explored. A theoretical model is introduced which takes in to account the many-body character of the system in the framework of the spin density matrix formalism.

J. Chem. Phys. 132, 214504 (2010)