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Unimolecular dissociation: an eigenchannel generalized quantum view

Autor: N. C. Handy, M. S. Child, J. C. Light

Publikováno v: Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences. 332:273-282

A quantum mechanical eigenchannel theory of unimolecular dissociation is outlined with specific reference to systems with many closed and few open channels. The resonances (whose lifetimes determine state specific dissociation rates) are shown to dec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::169bd5e4a9e90fd0d91fc6e8947ab5b4
https://doi.org/10.1098/rsta.1990.0114

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State- and bond-selected photodissociation and bimolecular reaction of water

Autor: F. Fleming Crim, N. C. Handy, J. L. Scott, Amitabha Sinha, R. L. Vander Wal, M. C. Hsiao

Publikováno v: Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences. 332:259-272

It is possible to exploit the isolation of the O-H stretching vibration in H$\_{2}$O and HOD to control the photodissociation and reaction dynamics in water molecules excited in the region of the third overtone (4$\nu \_{\text{OH}}$) of the O-H stret

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::41861d870e98148ad0ad473e93fcacf3
https://doi.org/10.1098/rsta.1990.0113

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Theoretical study of the Renner-Teller A2A1− X2B1system of NH2

Autor: N. C. Handy, Gilberte Chambaud, Stuart Carter, Pavel Rosmus, Wolfgang Gabriel

Publikováno v: Molecular Physics. 101:1933-1933

Three-dimensional potential energy functions of the A 2B1-[Xtilde] 2A1 bent-bent Renner-Teller system of NH2 have been generated and used in calculations of the rovibronic energy levels (J ⩽ 9>/2) by a variational approach accounting for anharmonic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::179b1a16b31b8f56bee27e8081dbc4ab
https://doi.org/10.1080/0026897031000112406

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Large amplitude vibrations in the X [sup 2]A[sub 1] state of C[sub 2]B

Autor: N. C. Handy, Pavel Rosmus, Gilberte Chambaud, Stuart Carter, Muriel Wyss, Céline Léonard, John P. Maier

Publikováno v: The Journal of Chemical Physics. 113:5228

A three-dimensional potential energy function (PEF) of the 2A1 electronic ground state of C2B has been generated by electronic structure calculations. The PEF possesses a minimum in an isosceles triangular structure which lies 2204 cm−1 below two e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1594f1023f16c4f0fa23e493cffd18ab
https://doi.org/10.1063/1.1290011

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