首页> 外文OA文献 >Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory X-ray powder diffraction data - coping with potential poor powder quality using DFT ab initio methods

【2h】

Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory X-ray powder diffraction data - coping with potential poor powder quality using DFT ab initio methods

机译：从实验室X射线粉末衍射数据确定琥珀腈低温相的从头算结构-使用DFT从头算方法应对潜在的不良粉末质量

代理获取

本网站仅为用户提供外文OA文献查询和代理获取服务，本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文，但由于OA文献来源多样且变更频繁，仍可能出现获取不到、文献不完整或与标题不符等情况，如果获取不到我们将提供退款服务。请知悉。

页面导航

摘要
著录项
相似文献
相关主题

摘要

Peer reviewed: Yes

机译：同行评论：是

著录项

作者
Whitfield, Pamela; Le Page, Yvon; Abouimrane, A.; Davidson, Isobel;
展开▼
作者单位

展开▼
年度 2008
总页数
原文格式 PDF
正文语种 eng
中图分类

相似文献

外文文献
中文文献
专利

1. Ab Initio Structure Determination Of The Low-temperature Phaseof Succinonitrile From Laboratory X-ray Powder Diffraction Data-coping With Potential Poor Powder Quality Using Dft Ab Initio Methods [J] . P. S. Whitfield, Y. Le Page, A. Abouimrane, Powder diffraction . 2008,第4期

机译：从实验室X射线粉末衍射数据复制（使用Dft从头算法得出潜在的粉末质量较差）确定琥珀腈低温相的从头算结构
2. Ab initio structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data - a combined use of X-ray, molecular and solid-state DFT study [J] . Smrcok L, Jorik V, Scholtzova E, Acta Crystallographica, Section B. Structural Science . 2007,第3期

机译：根据实验室粉末数据从头算结构确定5-苯胺基-2,2-二甲基-1,3-二恶烷-4,6-二酮-X射线，分子和固态DFT研究的结合
3. Ab initio structure determination of anhydrous sodium alendronate from laboratory powder X-ray diffraction data. [J] . Vyas K, Bhattacharya Apurba, Devarakonda Surya, Journal of pharmaceutical sciences. . 2009,第6期

机译：从实验室粉末X射线衍射数据确定无水阿仑膦酸钠的从头算结构。
4. Ab initio structure determination of two anhydrous forms of α-lactose by powder X-ray diffraction [C] . C. Platteau, J. Lefebvre, S. Hemon, European Powder Diffraction Conference vol.2 . 2006

机译：AB初始结构测定两种无水形式的α-乳糖通过粉末X射线衍射
5. Electronic structure properties of the 3d-block transition metals using ab initio, DFT and quantum Monte Carlo methods [D] . Gibson, Ainsley Anthony 2007

机译：使用从头算，DFT和量子蒙特卡洛方法对3d过渡金属的电子结构性质
6. Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data guided by solid-state NMR and periodic DFT calculations reveals a new 2′-deoxyguanosine structural motif [O] . Colan E. Hughes, G. N. Manjunatha Reddy, Stefano Masiero, 2017

机译：在没有单晶的情况下确定复杂的晶体结构：在固态NMR和定期DFT计算的指导下对粉末X射线衍射数据进行分析揭示了新的2-脱氧鸟苷结构基序
7. Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data [O] . Chan FC, Anwar J, Cernik R, 1999

机译：从同步加速器X射线粉末衍射数据确定磺胺噻唑多晶型物V的从头算结构

Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory X-ray powder diffraction data - coping with potential poor powder quality using DFT ab initio methods

摘要

著录项

相似文献

相关主题

期刊订阅