Four distinct methods for the evaluation of anharmonic vibrational frequencies have been used to study the infrared spectrum of the, as yet, undetected molecular ion HO 2 + . Three methods are variational with the other being based upon second-order vibrational perturbation theory. Results are ...
在M06-2X/6-311++G(2d,2p)理论水平上采用Gaussion 09程序[20]和ORCA[21]程序对HO2+Cl→HCl+O2反应体系中的反应物、中间体、过渡态以及产物的几何构型进行了全参数优化,同时引入内禀反应坐标(IRC)进行了理论计算.为了得到较为准确的能量VMEP(s),选用CCSD(T)/aug-cc-pVTZ方法计算反应物种的能量信息并进行...
Dioxidanide [ACD/IUPAC Name] Dioxydanide [French] [ACD/IUPAC Name] hydrogen peroxide anion Hydrogen peroxide, ion(1-) [ACD/Index Name] Hydroperoxide(1-) Unverified (O2)(.-) [HO2](−) Dioxid(1-) dioxide(1-) hiperoxido HO2(−) HOO anion HOO(−) hydrogen(peroxide)(1-) ...
(四下)第一单元基础复习姓名 、 看拼音,写词语1 ho2l d6bion tú()()()(zhù nùmoǎo lǎo wēng pfuz C)()()()(bō duòwū yán gòu chéng n xion hn xu()())()(ruì ln jì xìn zhào lìhé tan zhàng zi)()(()()(shuài líng gmI shísong l hul hua tang ru()()(...
HO2mechanismrate constantThe reaction mechanism of HCHO with HO2 radical has been studied at CBS-QB3 level of theory. Three direct hydrogenion processes, one double hydrogen transfer mechanism, three cooperative hydrogenion processes, and one additional channel have been identified for HCHO + HO2 ...
Ambient concentrations of the hydroxyl (OH), hydroperoxyl (HO2), and total peroxy (ΣRO2) radicals were measured as part of the Tropospheric OH Photochemistry Experiment at Idaho Hill, Colorado, during August and September of 1993. OH radicals were measured using ion-assisted mass spectroscopy an...
The m/z 69 ion, prominent in the electron ionization (EI) mass spectra of some aryl-substituted β-diketones, has been shown to have the composition C3HO2+ by accurate mass determination, identification of its precursor ions, and of its decomposition product ions. In contrast, it is a ...
Some Ion–Molecule Reactions of H3+ and the Proton Affinity of H2 The flowing afterglow technique has been used to study the reactions of H3+with a number of neutral reactants at thermal energies. Proton transfer was the ... JA Burt,JL Dunn,MJ Mcewan,... - 《Journal of Chemical ...
thermal expans ion from 2 20 to 2 7 0 K and the a verage the rmal expans io n is 一1 . 4 × 10 。4 · K _ 。 . K ey wo rds :H oz A IFe14 Mn2 co mpo und ,negative therma l expansion ,spo ntaneous volume mag neto strictio n ...
Direct observation of HO2/O2- free radicals generated in water by a high-linear energy transfer pulsed heavy-ion beam. The formation and decay of HO2/O2- radical from the radiolysis of water by heavy 36S16+ ions (2.7 GeV) have been observed by time-resolved absorption spect... Baldacchin...