Molecular Physics

Simulation of free energy without particle insertion in the NPT ensemble
pp. 1621-1631(11)
Authors: Bereolos P.; Talbot J.; Chao K-C.

Computer simulation of chiral liquid crystal phases III. A cholesteric phase formed by chiral Gay-Berne atropisomers
pp. 1633-1649(17)
Authors: Memmer R.; Kuball H.-G.; Schonhofer A.

Calculation of chemical potentials of mixtures from computer simulations
pp. 1651-1658(8)
Author: Liu A.

Microwave spectrum of the 15N16O-15N16O dimer
pp. 1659-1660(2)
Authors: Kukolich S. G.; Sickafoose S. M.

Quantification of conformational disorder in glassy polycarbonate by two-dimensional nuclear magnetic resonance spectroscopy
pp. 1663-1694(32)
Authors: Tomaselli M.; Robyr P.; Meier B. H.; Grob-Pisano C.; Ernst R. R.; Suter U. W.

The elementary reaction of quartet methylidyne (CH) with methane
pp. 1695-1705(11)
Authors: Kellogg C. B.; Valeev E.; Galbraith J.M.; Fowler J. E.; Schaefer H. F.

Exact results for the effect of bond flexibility on the structure and the collapse transition of isolated square-well trimers
pp. 1707-1717(11)
Authors: Zhou Y.; Karplus M.

Reanalysis of the A 1 Sigma +u state of Na2 by polarization labelling spectroscopy
pp. 1719-1724(6)
Authors: Jackowska I.; Bski W.J.; Feber R.; Nikolayeva O.; Kowalczyk P.

Molecular dynamics computer simulation of gas permeation in thin silicalite membranes
pp. 1725-1731(7)
Authors: Pohl P. I.; Heffelfinger G. S.; Smith D. M.

Chemical potential and dimensions of chain molecules in athermal environments
pp. 1733-1754(22)
Authors: Escobedo F. A.; Pablo J.J.D.

Analytical solution of Ornstein-Zernike equation for adhesive-hard-sphere Yukawa fluids
pp. 1755-1764(10)
Authors: Yasutomi M.; Ginoza M.

Density profiles of a model of dimerizing hard spheres in contact with a crystalline surface: application of Wertheim's theory of association
pp. 1765-1782(18)
Authors: Kovalenko A.; Trokhymchuk A.; Pizio O.; Henderson D.

Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture
pp. 1783-1802(20)
Author: Sese L. M.

Observation of the fast component in the fluorescence of gaseous SO2 excited to the A1A2 state in the presence of a magnetic field
pp. 1803-1823(21)
Author: Makarov V. I.

The structure of the liquid-vapour interface of n-hexane + perfluoro-n-hexane along the path of critical composition through the critical end-point by neutron reflectivity
pp. 1825-1834(10)
Authors: Bowers J.; Clements P. J.; Mclure I. A.; Burgess A. N.

Double-quantum filtering in magic-angle-spinning NMR spectroscopy applied to DNA oligomers
pp. 1835-1849(15)
Authors: Gregory D. M.; Wolfe G. M.; Jarvie T. P.; Sheils J. C.; Drobny G. P.

Transition states for hydrogen radical reactions: LiFH as a stringent test case for density functional methods
pp. 1851-1870(20)
Author: Ventura O. N.