Molecular Physics

Editorial
pp. 1-1(1)
Author: Hansen, Jean-Pierre

A flexible atomic and polarizable potential for water Application to small clusters
pp. 9-21(13)
Authors: Lussetti, E.; Pastore, G.; Smargiassi, E.

High-resolution rotational spectroscopy of H2-OCS: a study of minor isotopomers of OCS
pp. 23-31(9)
Authors: Michaud, Julie; Liao, Kristine; Jager, Wolfgang

TD-DFT investigation of the electronic spectra of (DOEO)4HgBr4 · TCE salt
pp. 33-42(10)
Authors: Łapinski, A.; Kotov, A. I.

The shifted reflective boundary for the study of two-phase systems with molecular dynamics simulations
pp. 43-56(14)
Authors: Van den Branden, Geert; Baelmans, Martine; D'haeseleer, William

Many-body Brillouin-Wigner second-order perturbation theory: an application to the autoaromatisation of hex-3-ene-1,5-diyne (the Bergman reaction)
pp. 57-74(18)
Authors: Papp, P.; Neogrady, P.; Mach, P.; Pittner, J.; Hubac˘, I.; Wilson, S.

A comparative multi-property analysis of existing models for the He-N2 potential energy surface
pp. 75-94(20)
Authors: Stoecklin, T.; Voronin, A.; Dham, Ashok; Sanchez-Fortun Stoker, Jamie; McCourt, Frederick

Conformational and microwave dielectric relaxation studies of hydrogen bonded polar binary mixtures of propionaldehyde with isopropyl amine
pp. 95-101(7)
Authors: Vishwam, T.; Subramanian, V.; Subbaiah, D. V.; Murthy, V. R. K.

The effect of steepness of soft-core square-well potential model on some fluid properties
pp. 103-112(10)
Authors: Shokouhi, Mohammad; Parsafar, Gholam Abbas

Thermodynamics of a long-range triangle-well fluid
pp. 113-126(14)
Authors: Betancourt-Cardenas, F. F.; Galicia-Luna, L. A.; Benavides, A. L.; Ramirez, J. A.; Scholl-Paschinger, E.

Long range dispersion interactions of the low lying states of Mg with H, He, Ne, Ar, Kr and Xe
pp. 127-132(6)
Authors: Mitroy, J.; Zhang, J. Y.

Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon-neon interatomic potential and rovibrational spectra
pp. 133-140(8)
Authors: Hellmann, Robert; Bich, Eckard; Vogel, Eckhard

A computational study of some structural analogues of the lowest energy structure of periodane
pp. 141-146(6)
Author: McDowell, Sean

Electronic structure, absorption spectra, and hyperpolarisabilities of some novel push-pull zinc porphyrins. A DFT/TDDFT study
pp. 147-160(14)
Authors: Liao, Meng-Sheng; Bonifassi, Pierre; Leszczynski, Jerzy; Huang, Ming-Ju

An equation of state contribution for dipolar and quadrupolar square-well fluids
pp. 161-174(14)
Authors: Alavi, Farzad; Feyzi, Farzaneh

Rotational barrier and thermodynamical parameters of furfural, thiofurfural, and selenofurfural in the gas and solution phases: theoretical study based on density functional theory method
pp. 175-185(11)
Authors: Ashish, Hatchootah; Ramasami, Ponnadurai

Erratum
pp. 187-187(1)

ERRATUM
pp. 189-189(1)