Molecular Physics

Erratum
pp. 1-1(1)

Ab initio prediction of the infrared absorption spectrum of the C 2 Br radical
pp. 2821-2828(8)
Authors: Tarroni, Riccardo; Carter§, Stuart

The increase of entropy upon release of a constraint in classical systems
pp. 2829-2834(6)
Author: Schlitter, J.

Dielectric studies of alkyl acrylates with primary alcohols using time domain reflectometry
pp. 2835-2840(6)
Authors: Dharmalingam, K.; Ramachandran, K.; Sivagurunathan, P.; Undre, B. Prabhakar; Khirade, P. W.; Mehrotra, S. C.

Computer simulations of strongly interacting dipolar systems: performance of a truncated Ewald sum
pp. 2841-2854(14)
Authors: Moreno-Razo, José A.; Díaz-Herrera, Enrique; Klapp, Sabine H. L.

Benzanilide: on the crossroads of calorimetry, computations and concepts
pp. 2855-2860(6)
Authors: Matos, M. A. R.; Miranda, M. S.; Morais, V. M. F.; Liebman, J. F.

Mid-infrared spectrum of the weakly bound complex CO 2 -SO 2
pp. 2861-2869(9)
Authors: Osthoff†, Hans D.; Jäger, Wolfgang

Towards a microscopic theory of wetting by ionic solutions. I. Surface properties of the semi-primitive model
pp. 2871-2883(13)
Authors: Oleksy, Anna; Hansen, Jean-Pierre

Electronic spectrum of the hydrocarbon cation
pp. 2885-2890(6)
Authors: Kim, E.; Araki†, M.; Chauhan, R.; Birza‡, P.; Maier, J. P.

Site-site potential function and second virial coefficients for linear molecules
pp. 2891-2899(9)
Authors: Meng, L.; Duan, Y.-Y.

Zwanzig model of multi-component mixtures of biaxial particles: y 3 theory re-visited
pp. 2901-2917(17)
Authors: Sokolova, E. P.; Tumanyan, N. P.; Vlasov, A. YU.; Masters, A. J.

Molecular simulation of model liquid crystals in a strong aligning field
pp. 2919-2927(9)
Authors: De Miguel, Enrique; Blas, Felipe J.; Del Río, Elvira Martín

Entropy and enthalpy calculations from perturbation and integration thermodynamics methods using molecular dynamics simulations: applications to the calculation of hydration and association thermodynamic properties
pp. 2929-2943(15)
Authors: Ghoufi, Aziz; Malfreyt, Patrice

Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions
pp. 2945-2954(10)
Authors: Barbieri, P. L.; Fantin, P. A.; Jorge, F. E.

Monte Carlo simulations of CO 2 -expanded acetonitrile
pp. 2955-2960(6)
Authors: Houndonougbo, Y.; Guo, J.-X.; Lushington, G. H.; Laird, B.

Substituent effect on the electrochemical behaviour of some ortho-substituted (aryl)(2-nitrobenzo[ b ]thiophen-3-yl)amines. A combined experimental and computational study
pp. 2961-2982(22)
Authors: Bottoni, A.; Cosimelli, B.; Scavetta, E.; Spinelli, D.; Spisani, R.; Stenta, M.; Tonelli, D.

A complete product operator theory for IS ( I =½, S =1) spin system and application to DEPT-HMQC NMR experiment
pp. 2983-2989(7)
Authors: Gençten, A.; Şaka, İ.