{"title":"Chemical laser based on polyatomic chemical reaction dynamics","authors":"José Daniel Sierra Murillo","doi":"10.1117/12.2653041","DOIUrl":null,"url":null,"abstract":"Large samples have been employed to obtain energy state distributions in products (translational, vibrational and rotational) for the OH (vOH = 0; jOH = 2) + D2 (vD2 = 0; jD2) gas phase reaction initial conditions. It uses Quasi-Classical Trajectory calculations and the Gaussian Binning methodology on Wu-Schatz-Lendvay-Fang-Harding potential energy surface. As the author has already observed in a previous works, depending on a first selection, Vibrational-Gaussian Binning, a second selection, Rotational-Gaussian Binning, it induces a variable preference for odd or even values in the Total Angular Momentum of the HOD product molecule. The increase of the rotational level, D2 (v = 0; j), induces a minor displacement of the distributions, P(J'), towards higher values of J' than when it increases the vibrational level, D2 (v ; j = 2). Nevertheless, causes more anisotropy in those distributions, P(J').","PeriodicalId":375593,"journal":{"name":"Advanced High-Power Lasers and Applications","volume":"21 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced High-Power Lasers and Applications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.2653041","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Large samples have been employed to obtain energy state distributions in products (translational, vibrational and rotational) for the OH (vOH = 0; jOH = 2) + D2 (vD2 = 0; jD2) gas phase reaction initial conditions. It uses Quasi-Classical Trajectory calculations and the Gaussian Binning methodology on Wu-Schatz-Lendvay-Fang-Harding potential energy surface. As the author has already observed in a previous works, depending on a first selection, Vibrational-Gaussian Binning, a second selection, Rotational-Gaussian Binning, it induces a variable preference for odd or even values in the Total Angular Momentum of the HOD product molecule. The increase of the rotational level, D2 (v = 0; j), induces a minor displacement of the distributions, P(J'), towards higher values of J' than when it increases the vibrational level, D2 (v ; j = 2). Nevertheless, causes more anisotropy in those distributions, P(J').