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Calculations on vibrational predissociation of Ar–OH (A 2Σ+).

Autor: Chakravarty, C., Clary, D. C., Esposti, A. Degli, Werner, H.-J.

Publikováno v: Journal of Chemical Physics; 12/1/1991, Vol. 95 Issue 11, p8149, 17p

Calculation of the electronic spectrum for Ar–OH.

Autor: Chakravarty, C., Clary, D. C., Esposti, A. Degli, Werner, H.-J.

Publikováno v: Journal of Chemical Physics; 9/1/1990, Vol. 93 Issue 5, p3367, 12p

Interaction between the ectomycorrhizal fungus Paxillus involutus, damping-off fungi and Pinus resinosa seedlings.

Autor: Ellis, B. E., Chakravarty, C., Peterson, R. L.

Publikováno v: Journal of Phytopathology. Jul1991, Vol. 132 Issue 3, p207-218. 12p.

An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to Li4 and Li5+

Autor: Weht, R.O., Kohanoff, J., Estrin, D.A., Chakravarty, C.

Publikováno v: J Chem Phys 1998;108(21):8848-8858
Biblioteca Digital (UBA-FCEN)
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
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A novel method for simulating the statistical mechanics of molecular systems in which both nuclear and electronic degrees of freedom are treated quantum mechanically is presented. The scheme combines a path integral description of the nuclear variabl

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