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11.
Adams MR Aïd S Anthony PL Averill DA Baker MD Baller BR Banerjee A Bhatti AA Bratzler U Braun HM Breidung H Busza W Carroll TJ Clark HL Conrad JM Davisson R Derado I Dhawan SK Dietrich FS Dougherty W Dreyer T Eckardt V Ecker U Erdmann M Faller F Fang GY Figiel J Finlay RW Gebauer HJ Geesaman DF Griffioen KA Guo RS Haas J Halliwell C Hantke D Hicks KH Hughes VW Jackson HE Jancso G Jansen DM Jin Z Kaufman S Kennedy RD Kinney ER Kirk T Kobrak HG Kotwal AV Kunori S Lancaster S Lord JJ Lubatti HJ 《Physical review letters》1995,74(9):1525-1529
12.
Blinov BB Chu CM Courant ED Crandell DA Kaufman WA Krisch A Nurushev TS Phelps RA Raczkowski DB Ratner LG Wong VK Caussyn DD Derbenev YS Ellison TJ Lee SY Rinckel T Schwandt P Sperisen F Stephenson EJ von Przewoski B Baiod R Minty MG Ohmori C Wienands U 《Physical review letters》1994,73(12):1621-1623
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14.
Akiba Y Beavis D Beery P Britt HC Budick B Chasman C Chen Z Chi CY Chu YY Cianciolo V Cole BA Costales JB Crawford HJ Cumming JB Debbe R Engelage J Fung SY Gonin M Gushue S Hamagaki H Hansen O Hayano RS Hayashi S Homma S Kaneko H Kang J Kaufman S Kehoe WL Kurita K Ledoux RJ Levine MJ Miake Y Morrison DP Morse RJ Moskowitz B Nagamiya S Namboodiri MN Nayak TK Olness J Parsons CG Remsberg LP Roehrich D Rothschild P Sakurai H Sangster TC Seto R Soltz R Stankus P Steadman SG Stephans GS Sung T 《Physical review letters》1996,76(12):2021-2024
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16.
K.J.L. Paciorek J. Kaufman J.H. Nakahara T.I. Ito R.H. Kratzer R.W. Rosser J.A. Parker 《Journal of fluorine chemistry》1977,10(4):277-288
2,5-Bis(perfluoro-n-heptyl)-, 2-perfluoroalkylether-5-perfluoro-n-heptyl-, and 2,5-bisperfluoroalkylether-1,3,4-oxadiazoles were synthesized and characterized. 2,5-Bis(perfluoro-n-heptyl)-1,3,4-oxadiazole was thermally and hydrolytically stable at 325°C; however, in the presence of air, degradation took place at 235°C. The perfluoroalkylether analogue exhibited thermal and hydrolytic stability at 325°C; it was found to be unaffected by Jet-A fuel and air at 235°C. At 325°C in air some degradation occured as evidenced by volatiles production, oxygen consumption, and 96% starting material recovery. 相似文献
17.
Carbon-supported catalysts were phosphonated using 2-aminoethylphosphonic acid, and the resulting catalysts with largely enhanced proton conductivity performed substantially better than the untreated counterparts in proton-exchange membrane fuel cells. 相似文献
18.
Quantum chemical CNDO /2 calculations for the conformational preference of the side chain of thioridazine as a function of angle indicated the crystallographically determined structure gave the lowest energy. There is also a small region of conformational flexibility within the first 90° of rotation of the side chain. This is commensurate with the results which we had obtained previously for our similar calculations for promazine and its Cl and CF3 derivatives, perazine and its Cl and CF3 derivatives, and for the hypothetical hitherto unknown N-piperidinopromazine and its Cl and CF3 derivatives. The conformational profile of thioridazine resembles that of the perazines. The calculated gross atomic populations on the alkyl nitrogen in thioridazine was within the range we had previously found necessary for neuroleptic activity. 相似文献
19.
The application of statistical linear discriminant analysis in analytical chemistry is discussed. In addition to a general discussion of the theory of the method, which is illustrated by some examples, its suitability for problem solving in analytical chemistry is demonstrated by a review of published applications. A more mathematical point of view is added as an appendix. 相似文献
20.
Roszak S Koski WS Kaufman JJ Balasubramanian K 《SAR and QSAR in environmental research》2001,11(5-6):383-396
Theoretical studies of structures of neutral molecules and their anions as well as dissociative electron attachment properties are presented for the halomethanes of general formula CX(n) Y(m); X=H, F; Y=Cl, Br, I; n=0,4; m=4-n. The dissociative electron attachment seems to be the primary process resulting in toxicity of these species. The halomethane anions containing hydrogens are formed as radical-anion adducts. When H is replaced by F, these species become true sigma* radicals. The electron affinities are computed using a variety of computational techniques including the four-order M?ller-Plesset (MP4) technique that included 250 basis functions. It is challenging to compare the computed results with experiment due to dearth of experimental data and uncertainties in the existing experimental data. Thus in certain cases larger differences are found between the computed and experimental values. 相似文献