A modified variation–perturbation approach to zero-point vibrational motion Per-Olof ÅstrandKenneth RuudDage Sundholm Regular article Pages: 365 - 373
The absorption and emission spectra of 1,4-di(2-phenylvinyl)benzene. A theoretical analysis Jenwei YuW. S. FannS. H. Lin Regular article Pages: 374 - 379
Conformational profile of 1-aminocyclopropanecarboxylic acid Jesus Gomez-CatalanCarlos AlemanJuan J. Perez Regular article Pages: 380 - 389
Diabatic and adiabatic potential-energy surfaces for azomethane photochemistry Paola CattaneoMaurizio Persico Regular article Pages: 390 - 398
Structure and stability of gold-substituted diborane, boranes, and borohydride ions Toomas TammPekka Pyykkö Regular article Pages: 399 - 408
Flow-injection responses of diffusion processes and chemical reactions Jens E.T. Andersen Regular article Pages: 409 - 416
An orthogonal approach to determine extremely localised molecular orbitals Maurizio SironiAntonino Famulari Regular article Pages: 417 - 422
The influence of protecting the hydroxyl group of β-oxy-α-diazo carbonyl compounds in the competition between Wolff rearrangement and [1,2]-hydrogen shift. Density functional theory study and topological analysis of the charge density S. Calvo-LosadaT. L. SordoJ. J. Quirante Regular article Pages: 423 - 430
Ground-state multiplicities of atoms and positive ions M. G. MarmorinoJ. C. Schug Letter Pages: 431 - 433
MRINDO/S-CI calculation of the electronic spectra of azines R. S. PrasadA. K. Singh Letter Pages: 434 - 439
Π delocalisation in 1,3-butadiene: a nonempirical molecular orbital study Melvyn P. Melrose Letter Pages: 440 - 443
