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Dear Colleagues, A new version (v1.4.1.1) of Diatomic is available at http://www.cyber-wit.com. Since this version, Diatomic will be released as 100% freeware. Diatomic is a spectral simulation program for diatomic molecules. It allows the user to simulate laser-induced fluorescence, absorption, and emission spectra of diatomic molecules. The program assumes the electric dipole selection rules. The following are some feature highlights of Diatomic: * Simulation of any intermediate coupling case between the Hund case (a) and Hund case (b). * Taking account of leading centrifugal corrections (up to Lv) as well as fine structure interactions (spin-orbit, spin-spin and spin-rotation) in the simulation. * Allowing up to 32 vibrational terms for each band constant. * Using either the user specified Franck-Condon factors (FCF) or calculating the FCFs from RKR potentials derived from the input vibrational and rotational constants. * Taking account of the Lambda-type doubling up to L = 2, S = 2 in the simulation. * Taking account of nuclear spin statistics in the simulation. * Taking account of excitation-detection geometry, polarizations, and spatial alignment of the initial-state angular momentum in LIF simulations. * Supporting various lineshapes: Gaussian, Lorentzian, and Voigt lineshapes are supported for LIF and absorption. Instrumental slit transmission functions (rectangular and grating diffraction function) are supported for emission. * Displaying both the graphical spectrum or RKR potential curves, and text results on an integrated user interface. * Automatic labeling of rotational lines on the simulated graphical spectrum. * Supporting basic graphical manipulations and comparison of the simulated spectrum with an user imported spectrum. * Customizing and printing reports. Thank you for your attention. Sincerely, Xiaofneg Tan, Ph.D. CyberWit, Inc. To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html