{"title":"PDJ第37卷第3期封面和封面问题","authors":"","doi":"10.1017/S0885715622000355","DOIUrl":null,"url":null,"abstract":"On the Cover: In the manuscript ” Crystal Morphology Prediction and Experimental Veri fi cation of Venlafaxine Hydrochloride ” by C. Liang, et al , it was shown that modeling can be successfully used to predict the in fl uence of solvent effects on crystal habit of venlafaxine hydrochloride. Modeling of habit of the precipitates was based on the modi fi ed attachment energy model using molecular dynamics simulation and was supported by showing the differences in the X-ray powder diffraction patterns of the three precipitates compared with the calculated pattern. Further, physical properties of the precipitates from the three solvents were shown to be related with the morphologies of the crystals.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":" ","pages":"f1 - f6"},"PeriodicalIF":0.3000,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"PDJ volume 37 issue 3 Cover and Front matter\",\"authors\":\"\",\"doi\":\"10.1017/S0885715622000355\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"On the Cover: In the manuscript ” Crystal Morphology Prediction and Experimental Veri fi cation of Venlafaxine Hydrochloride ” by C. Liang, et al , it was shown that modeling can be successfully used to predict the in fl uence of solvent effects on crystal habit of venlafaxine hydrochloride. Modeling of habit of the precipitates was based on the modi fi ed attachment energy model using molecular dynamics simulation and was supported by showing the differences in the X-ray powder diffraction patterns of the three precipitates compared with the calculated pattern. Further, physical properties of the precipitates from the three solvents were shown to be related with the morphologies of the crystals.\",\"PeriodicalId\":20333,\"journal\":{\"name\":\"Powder Diffraction\",\"volume\":\" \",\"pages\":\"f1 - f6\"},\"PeriodicalIF\":0.3000,\"publicationDate\":\"2022-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Powder Diffraction\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1017/S0885715622000355\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"MATERIALS SCIENCE, CHARACTERIZATION & TESTING\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Powder Diffraction","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1017/S0885715622000355","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, CHARACTERIZATION & TESTING","Score":null,"Total":0}
On the Cover: In the manuscript ” Crystal Morphology Prediction and Experimental Veri fi cation of Venlafaxine Hydrochloride ” by C. Liang, et al , it was shown that modeling can be successfully used to predict the in fl uence of solvent effects on crystal habit of venlafaxine hydrochloride. Modeling of habit of the precipitates was based on the modi fi ed attachment energy model using molecular dynamics simulation and was supported by showing the differences in the X-ray powder diffraction patterns of the three precipitates compared with the calculated pattern. Further, physical properties of the precipitates from the three solvents were shown to be related with the morphologies of the crystals.
期刊介绍:
Powder Diffraction is a quarterly journal publishing articles, both experimental and theoretical, on the use of powder diffraction and related techniques for the characterization of crystalline materials. It is published by Cambridge University Press (CUP) for the International Centre for Diffraction Data (ICDD).