Molecular Physics

Evaluation of an algebraic model for the vibrations of water, effects of a discrete symmetry
pp. 1353-1369(17)
Authors: Rueda, J.; Jung, C.

N-salicylidene anilines and their copper complexes: comparative investigations of mesomorphic, morphologic, thermotropic and thermodynamical properties
pp. 1371-1383(13)
Authors: Nesrullajev, Arif; Eran, Belkiz Bilgin

Poisson's equation solution of Coulomb integrals in atoms and molecules†
pp. 1385-1389(5)
Authors: Weatherford, Charles A.; Red, Eddie; Joseph, Dwayne; Hoggan, Philip

14 N Pulsed nuclear quadrupole resonance. 2. Effect of a single radio-frequency pulse in the general case
pp. 1391-1399(9)
Authors: Canet, Daniel; Merlat, Lionel; Cordier, Benoit; Grandclaude, Denis; Retournard, Alain; Ferrari, Maude

Isomerization of C 3 H 3 NO isomers: ab initio study
pp. 1401-1411(11)
Authors: Vijayakumar, S.; Kolandaivel, P.

Accurate computations of the rovibrational spectrum of the He–HF van der Waals complex
pp. 1413-1420(8)
Authors: Fajin, Jose Luis Cagide; Fernandez, Berta; Mikosz, Aleksandra; Farrelly, David

Cross-orientational motion in liquid dichloromethane and trichloromethane (chloroform) by molecular dynamics simulation
pp. 1421-1427(7)
Author: Rothschild, W. G.

Two-dimensional correlation analysis of Raman optical activity data on the α-helix-to-β-sheet transition in poly(L-lysine)
pp. 1429-1445(17)
Authors: Ashton, Lorna; Barron, Laurence D.; Czarnik-Matusewicz, Boguslawa; Hecht, Lutz; Hyde, Jason; Blanch, Ewan W.

Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory
pp. 1447-1456(10)
Authors: Grassi, A.; Lombardo, G. M.; Forte, G.; Angilella, G. G. N.; Pucci, R.; March, N. H.

Thermochemical properties of small open-shell systems: experimental and high-level ab initio results for NH 2 and
pp. 1457-1461(5)
Authors: Willitsch, Stefan; Merkt, Frédéric; Kállay, Mihály; Gauss, Jürgen

Coupled cluster study of NMR shielding constants and spin-rotation constants in SiH 4 , PH 3 and H 2 S molecules
pp. 1463-1474(12)
Authors: Antus˘ek, Andrej; Jaszuński, Michał

Monte Carlo simulations of primitive models for ionic systems using the Wolf method
pp. 1475-1486(12)
Authors: Avendaño, Carlos; Gil-Villegas, Alejandro

Depletion interactions between colloidal particles in polymer solutions: density functional approach
pp. 1487-1495(9)
Authors: Kim, Soon-Chul; Lee, Song Hi

Kinetic analysis of discrete path sampling stationary point databases
pp. 1497-1507(11)
Authors: Trygubenko, Semen A.; Wales, David J.

Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties
pp. 1509-1527(19)
Authors: Vrabec, Jadran; Kedia, Gaurav Kumar; Fuchs, Guido; Hasse, Hans