The transition state of the F+H2 reaction
The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that...
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| Veröffentlicht in: | Science (American Association for the Advancement of Science) 1993-12, Vol.262 (5141), p.1852-1855 |
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| container_issue | 5141 |
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| container_title | Science (American Association for the Advancement of Science) |
| container_volume | 262 |
| creator | MANOLOPOULOS, D. E STARK, K WERNER, H.-J ARNOLD, D. W BRADFORTH, S. E NEUMARK, D. M |
| description | The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively. |
| doi_str_mv | 10.1126/science.262.5141.1852 |
| format | Article |
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The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively.</description><subject>Chemical kinetics</subject><subject>Chemical reaction, Rate of</subject><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>Inorganic chemistry and origins of life</subject><subject>Kinetics and mechanism of reactions</subject><issn>0036-8075</issn><issn>1095-9203</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1993</creationdate><recordtype>article</recordtype><recordid>eNqN0lFr2zAQAGAxVta03U_Y8MNgHa0z3UmWpccurGkhLA_t9moU5eRpOHZnKbD9-2k0GwTyEO7h4O7j4KRj7A3wKQCqj9EF6h1NUeG0AglT0BW-YBPgpioNcvGSTTgXqtS8rk7ZWYw_OM89I16xU6g1GiVgwj48fqcijbaPIYWhL2KyiYrBFynXb6_usBjJur-tC3bibRfp9S6fs6-3nx9nd-ViOb-f3SzKVqJJpVkJ42zlXV1rkkqh91pIBa6Sbq2tUwZXbgVCo5ca1rVTTlQVGvJcImAtztn757lP4_BzSzE1mxAddZ3tadjGphYCJXIOWV4_y9Z21ITeD3kR11JPo-2GnnzI5RuQtTAgMPPyAM-xpk1wh_zlns8k0a_U2m2Mzf3Dl6Pp8tvR9NP8WKrniz16fYi6oeuopSZ_0Gy5x9_u3ni72tC6eRrDxo6_m393kcG7HbDR2c7nA3Eh_neSKwRQ4g8B4MDC</recordid><startdate>19931217</startdate><enddate>19931217</enddate><creator>MANOLOPOULOS, D. 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| fulltext | fulltext |
| identifier | ISSN: 0036-8075 |
| ispartof | Science (American Association for the Advancement of Science), 1993-12, Vol.262 (5141), p.1852-1855 |
| issn | 0036-8075 1095-9203 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_733242001 |
| source | American Association for the Advancement of Science; Jstor Complete Legacy |
| subjects | Chemical kinetics Chemical reaction, Rate of Chemistry Exact sciences and technology Inorganic chemistry and origins of life Kinetics and mechanism of reactions |
| title | The transition state of the F+H2 reaction |
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