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21.
Amashukeli X Gruhn NE Lichtenberger DL Winkler JR Gray HB 《Journal of the American Chemical Society》2004,126(47):15566-15571
Inner-sphere electron-transfer reorganization energies of Zn(protoporphyrin IX) and Zn(octaethylporphyrin) are determined from band-shape analyses of the first ionization obtained by gas-phase valence photoelectron spectroscopy. The experimentally determined total inner-sphere reorganization energies for self-exchange (120-140 meV) indicate that structural changes upon oxidation are largely confined to the porphyrin ring, and substituents on the ring or solvent and other environmental factors make smaller contributions. Computational estimates by different models vary over a wide range and are sensitive to numerical precision factors for these low reorganization energies. Of current computational models that are widely available and practical for molecules of this size, functionals that contain a mixture of Hartree-Fock exchange and DFT exchange-correlation appear to be the most applicable. 相似文献
22.
P. W. Gray 《Journal of Radioanalytical and Nuclear Chemistry》1986,102(1):59-67
When a gamma-ray spectrum contains a number of photopeaks originating from the same nuclide, the calculation of nuclide activity depends not only on the values of, and uncertainties in, the photopeak areas, photopeak efficiencies, gamma-ray emission probabilities and peak area correction factors, but also on the correlations that exist between these quantities. When photopeaks corresponding to a group of nuclides overlap or are unresolved, simultaneous estimation of the activities of all the nuclides present in the group is necessary if the information contained in the spectrum is to be used efficiently — a procedure which can prove important when the only prominent photopeak associated with a nuclide of interest overlaps with the photopeak of another nuclide. Two procedures for activity estimation are described: both procedures take correlations into account; one procedure deals with the special case of activity estimation for a single nuclide, where unresolved photopeaks are absent or neglected; the other procedure deals with simultaneous activity estimation using all the photopeaks associated with an interrelated group of nuclides. 相似文献
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Balest R Cho K Ford WT Lohner M Park H Rankin P Smith JG Alexander JP Bebek C Berger BE Berkelman K Bloom K Browder TE Cassel DG Cho HA Coffman DM Crowcroft DS Dickson M Drell PS Dumas DJ Ehrlich R Elia R Gaidarev P Garcia-Sciveres M Gittelman B Gray SW Hartill DL Heltsley BK Henderson S Jones CD Jones SL Kandaswamy J Katayama N Kim PC Kreinick DL Lee T Liu Y Ludwig GS Masui J Mevissen J Mistry NB Ng CR Nordberg E Patterson JR Peterson D Riley D Soffer A Avery P Freyberger A Lingel K Prescott C 《Physical review letters》1995,75(21):3809-3813
25.
Barish B Chadha M Chan S Cowen DF Eigen G Miller JS O'Grady C Urheim J Weinstein AJ Acosta D Athanas M Masek G Paar HP Gronberg J Kutschke R Menary S Morrison RJ Nakanishi S Nelson HN Nelson TK Qiao C Richman JD Ryd A Tajima H Sperka D Witherell MS Procario M Balest R Cho K Daoudi M Ford WT Johnson DR Lingel K Lohner M Rankin P Smith JG Alexander JP Bebek C Berkelman K Bloom K Browder TE Cassel DG Cho HA Coffman DM Crowcroft DS Drell PS Ehrlich R Gaidarev P Galik RS Garcia-Sciveres M Geiser B 《Physical review D: Particles and fields》1995,51(3):1014-1033
26.
Bartelt J Csorna SE Egyed Z Jain V Gibaut D Kinoshita K Pomianowski P Barish B Chadha M Chan S Cowen DF Eigen G Miller JS O'Grady C Urheim J Weinstein AJ Würthwein F Asner DM Athanas M Bliss DW Brower WS Masek G Paar HP Gronberg J Korte CM Kutschke R Menary S Morrison RJ Nakanishi S Nelson HN Nelson TK Qiao C Richman JD Roberts D Ryd A Tajima H Witherell MS Balest R Cho K Ford WT Lohner M Park H Rankin P Smith JG Alexander JP Bebek C Berger BE Berkelman K Bloom K Browder TE Cassel DG Cho HA 《Physical review D: Particles and fields》1995,52(9):4860-4867
27.
Balest R Cho K Daoudi M Ford WT Johnson DR Lingel K Lohner M Rankin P Smith JG Alexander JP Bebek C Berkelman K Bloom K Browder TE Cassel DG Cho HA Coffman DM Drell PS Ehrlich R Gaiderev P Garcia-Sciveres M Geiser B Gittelman B Gray SW Hartill DL Heltsley BK Jones CD Jones SL Kandaswamy J Katayama N Kim PC Kreinick DL Ludwig GS Masui J Mevissen J Mistry NB Ng CR Nordberg E Patterson JR Peterson D Riley D Salman S Sapper M Würthwein F Avery P Freyberger A Rodriguez J Stephens R Yang S Yelton J 《Physical review letters》1994,72(15):2328-2331
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Acosta D Athanas M Masek G Paar H Bean A Gronberg J Kutschke R Menary S Morrison RJ Nakanishi S Nelson HN Nelson TK Richman JD Ryd A Tajima H Schmidt D Sperka D Witherell MS Procario M Yang S Balest R Cho K Daoudi M Ford WT Johnson DR Lingel K Lohner M Rankin P Smith JG Alexander JP Bebek C Berkelman K Besson D Browder TE Cassel DG Cho HA Coffman DM Drell PS Ehrlich R Galik RS Garcia-Sciveres M Geiser B Gittelman B Gray SW Hartill DL Heltsley BK Jones CD Jones SL Kandaswamy J Katayama N Kim PC 《Physical review D: Particles and fields》1994,49(11):5690-5700
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