Search results for "ONIOM"
showing 10 items of 59 documents
Experimental Equipment for Studying the Residual Stresses Developed During High Temperature Reactions by X-Ray Diffraction
1996
This paper describes a device dedicated to studyng, by X-ray diffraction the residual stresses developed on surface samples as a function of temperature and atmosphere conditions. The setup consists of : a.) an horizontal axis goniometer which allows the programmed positionning of the sealed X-ray source and of the linear detector. b.) a high temperature controlled atmosphere chamber Particular attention has been paid to the thermal stability up to 1200°C and the accurate position on the sample.
Fast-ADT: A fast and automated electron diffraction tomography setup for structure determination and refinement.
2020
Abstract Electron crystallography has focused in the last few years on the analyses of microcrystals, mainly organic compounds, triggered by recent publications on acquisition methods based on direct detection cameras and continuous stage tilting. However, the main capability of a transmission electron microscope is the access to features at the nanometre scale. In this context, a new acquisition method, called fast and automated diffraction tomography (Fast-ADT), has been developed in form of a general application in order to get the most of the diffraction space from a TEM. It consists of two subsequent tilt scans of the goniometric stage; one to obtain a crystal tracking file and a secon…
CCDC 606116: Experimental Crystal Structure Determination
2007
Related Article: M.Luostarinen, M.Nissinen, M.Nieger, A.Shivanyuk, K.Rissanen|2007|Tetrahedron|63|1254|doi:10.1016/j.tet.2006.11.044
CCDC 1481997: Experimental Crystal Structure Determination
2016
Related Article: Fangfang Pan, Ngong Kodiah Beyeh, Robin H. A. Ras, Kari Rissanen|2016|CrystEngComm|18|5724|doi:10.1039/C6CE01229A
CCDC 1481996: Experimental Crystal Structure Determination
2016
Related Article: Fangfang Pan, Ngong Kodiah Beyeh, Robin H. A. Ras, Kari Rissanen|2016|CrystEngComm|18|5724|doi:10.1039/C6CE01229A
CCDC 990706: Experimental Crystal Structure Determination
2014
Related Article: N. Kodiah Beyeh, Altti Ala-Korpi, Mario Cetina, Arto Valkonen, Kari Rissanen|2014|Chem.-Eur.J.|20|15144|doi:10.1002/chem.201402533
CCDC 776222: Experimental Crystal Structure Determination
2011
Related Article: N.K.Beyeh, M.Cetina, M.Lofman, M.Luostarinen, A.Shivanyuk, K.Rissanen|2010|Supramol.Chem.|22|737|doi:10.1080/10610278.2010.506543
CCDC 776226: Experimental Crystal Structure Determination
2011
Related Article: N.K.Beyeh, M.Cetina, M.Lofman, M.Luostarinen, A.Shivanyuk, K.Rissanen|2010|Supramol.Chem.|22|737|doi:10.1080/10610278.2010.506543
Concurrent Criterion-related Validity, Reliability, and Responsiveness to Treatment of the Figure-of-Four Position for Measurement of Anterior Hip Jo…
2018
Abstract Objective The objective of this study was to examine the intra- and intertester reliability, concurrent criterion-related validity, and responsiveness to treatment of the “figure-of-four” position. Methods A total of 52 asymptomatic male soccer players participated in this study. The intraclass correlation coefficient (2, 1) was used to determine intra- and intertester reliability of the figure-of-four position. Pearson product moment correlation coefficients examining the association between the figure-of-four position and goniometric measurements of hip extension and external rotation were used to establish concurrent validity. To evaluate responsiveness to treatment, the figure-…
Assessment of Kinect V2 for elbow range of motion estimation in people with haemophilia using an angle correction model
2018
Introduction The joint range of motion (ROM) is an important clinical parameter used to assess the loss of functionality resulting from joint bleedings in people with haemophilia. These episodes require a close follow-up and, to decrease patients' hospital dependence, telemedicine tools are needed. Therefore, this study is aimed to analyse the validity of the Microsoft Kinect V2 sensor with corrected angle measurement to be used in the monitoring of elbow ROM in people with haemophilia. Methods A convenience sample of 10 healthy controls (CG) and 10 patients with haemophilia with elbow arthropathy (HG) participated in this study. Full ROM of elbow joints was measured in the frontal view wit…