Molecular Physics

Editorial
pp. 1297-1297(1)

Helical signature motif in the fibre diffraction patterns of random-walk chains
pp. 1299-1306(8)
Author: Zagrovic, Bojan

Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of the Li2 molecule
pp. 1307-1317(11)
Authors: Ren, W.; Sun, W.

Theory of phase equilibria for model mixtures of n-alkanes, perfluoroalkanes and perfluoroalkylalkane diblock surfactants
pp. 1319-1334(16)
Authors: Ramos, MarÍa Carolina Dos; Blas, Felipe J.

State-specific multireference complete-active-space coupled-cluster approach versus other quantum chemical methods: dissociation of the N2 molecule
pp. 1335-1357(23)
Authors: Lyakh, Dmitry I.; Ivanov, Vladimir V.; Adamowicz, Ludwik

Shannon entropies of atomic structure factors, off-diagonal order and radial correlation
pp. 1359-1368(10)
Authors: Sagar, Robin P.; Guevara, Nicolais L.

New potential energy surfaces for the [image omitted] and [image omitted] states of CH[image omitted]
pp. 1369-1376(8)
Authors: Bunker, P. R.; Kraemer, W. P.; Yurchenko, S. N.; Thiel, W.; Neese, C. F.; Gottfried, J. L.; Jensen, Per

Shrinking stacking fault through glide of the Shockley partial dislocation in hard-sphere crystal under gravity
pp. 1377-1383(7)
Authors: Mori, Atsushi; Suzuki, Yoshihisa; Yanagiya, Shin-Ichiro; Sawada, Tsutomu; Ito, Kensaku

Vibrational spectra obtained from high quality potential energy surfaces spanned by low level normal coordinates: application to CHFClI and CDFClI
pp. 1385-1394(10)
Authors: Heislbetz, Sandra; Schwerdtfeger, Peter; Rauhut, Guntram

A modified Poisson-Boltzmann theory and Monte Carlo simulation study of surface polarization effects in the planar diffuse double layer
pp. 1395-1402(8)
Authors: Bhuiyan, L. B.; Outhwaite, C. W.; Henderson, D.; Alawneh, M.

Non-Maxwell slippage induced by surface roughness for microscale gas flow: a molecular dynamics simulation
pp. 1403-1410(8)
Author: Cao, Bing-Yang

Spatial correlation of dipole fluctuations in liquid water
pp. 1411-1417(7)
Authors: McGrath, M. J.; Siepmann, J. I.; Kuo, I.-F. W.; Mundy, C. J.

Studies of diffusion coefficients in disordered porous matrices confined in a slit-pore
pp. 1419-1431(13)
Authors: Salinas, Jose F.; Dominguez, Hector

Ab initio study of spectroscopic properties of RgCl (Rg=He, Ne, Ar, Kr) and their anions
pp. 1433-1439(7)
Authors: Bera, Narayan Chandra; Das, Abhijit Kumar

On electric-quadrupole and magnetic-dipole contributions to optical rectification in isotropic media near optical resonance
pp. 1441-1451(11)
Author: Zawodny, Roman

Investigation of a new mean temperature-dependent potential energy function for methane and its use for the prediction of transport properties
pp. 1453-1463(11)
Authors: Nahaly, M.; Parsafar, G. A.; Goharshadi, E. K.