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Recent Communications

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Communication: Electric properties of the ThO(X 1Σ+) molecule

Alexei A. Buchachenko
To assist the proposed search for the electric dipole moment of the electron with the thorium oxide, converged ab initio coupled cluster calculations are performed on the interaction energy, dipole moment, anisotropic static dipole polarizability, and quadrupole moment of the ThO(X 1Σ+) molecule as ... [J. Chem. Phys. 133, 041102 (2010)] published Wed Jul 28, 2010.

Communication: High-frequency acoustic excitations and boson peak in glasses: A study of their temperature dependence

B. Ruta, G. Baldi, and V. M. Giordano et al.
The results of a combined experimental study of the high-frequency acoustic dynamics and of the vibrational density of states (VDOS) as a function of temperature in a glass of sorbitol are reported here. The excess in the VDOS at ∼ 4.5 meV over the Debye, elastic continuum prediction (boson peak) ... [J. Chem. Phys. 133, 041101 (2010)] published Wed Jul 28, 2010.

Research Highlights

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JCP014305RH

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)

JCP244504RH

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)

JCP234708RH

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)

JCP214504RH

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)

Announcements

The Journal of Chemical Physics is #1 in Atomic, Molecular & Chemical Physics!

The latest citation data released by Thomson Reuters in the 2009 Science Edition of Journal Citation Reports (JCR) reveal that The Journal of Chemical Physics (JCP) remains the most highly cited journal in Atomic, Molecular & Chemical Physics—a position the journal has maintained for many years. Read more.

Professor Cheuk-Yiu Ng joins The Journal of Chemical Physics as new Associate Editor

The Journal of Chemical Physics is pleased to announce a new Associate Editor to the Journal, Professor Cheuk-Yiu Ng of the Chinese University of Hong Kong and University of California, Davis. Prof. Ng began as Associate Editor 1 July 2010 and will handle manuscripts related to laser and synchrotron based studies of chemical dynamics in gaseous and condensed phases. Read more.


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