Search results for "ONIOM"
showing 9 items of 59 documents
CCDC 776228: 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 1481998: 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 1038850: Experimental Crystal Structure Determination
2015
Related Article: N. Kodiah Beyeh, Arto Valkonen, Sandip Bhowmik, Fangfang Pan, K. Rissanen|2015|Org.Chem.Front.|2|340|doi:10.1039/C4QO00326H
CCDC 1485960: Experimental Crystal Structure Determination
2017
Related Article: Nejib Dwadnia, Julien Roger, Nadine Pirio, Hélène Cattey, Ridha Ben Salem, Jean-Cyrille Hierso|2017|Chem.Asian J.|12|459|doi:10.1002/asia.201601583
CCDC 1825463: Experimental Crystal Structure Determination
2018
Related Article: Quentin Bonnin, Sook-Yen Wong, Cedric Balan, Virginie Comte, Raluca Malacea, Marie-Jose Penouilh, Philippe Richard, Gerald Kehr, Adrien T. Normand, Gerhard Erker, Pierre Le Gendre|2018|Eur.J.Inorg.Chem.|2018|3813|doi:10.1002/ejic.201800636
The interaction of native calf thymus DNA with Zn(II)-N,N'-bis(5,5'-triethylammoniomethyl-salicylidene)phenylendiimine
2006
The interaction between native calf thymus deoxyribonucleic acid (DNA) and Fe-III-N,N'-ethylene-bis (salicylideneiminato)chloride, Fe(Salen)Cl, was investigated in aqueous solutions by UV-visible (UV-vis) absorption, circular clichroisin (CD), thermal denaturation and viscosity measurements. The results obtained from CD, UV-vis and viscosity measurements exclude DNA intercalation and can be interpreted in terms of an electrostatic binding between the Fe(Salen)(+) cation and the phosphate groups of DNA. The trend of the UV-vis absorption band of the Fe(Salen)Cl complex at different ratios [DNA(phosphate)]/[Fe(Salen)Cl] and the large increase of the melting temperature of DNA in the presence …
Validity and Reliability of a New Optoelectronic System for Measuring Active Range of Motion of Upper Limb Joints in Asymptomatic and Symptomatic Sub…
2019
The aim of this study was to evaluate the validity of the Veloflex infrared dynamic angle-meter (Veloflex-IDA) and the intra- and inter-rater reliability when measuring the ranges of motion (ROMs) of the upper limb joints. Thirty-five healthy and 20 symptomatic participants were evaluated. Twelve upper limb movements were measured in two sessions with the Veloflex-IDA, which is a device composed of a camera that tracks the trajectory of retro-reflective markers. In addition, a goniometer was used in the first session to evaluate concurrent validity. Validity and agreement were evaluated by Pearson correlation coefficient (r) and Bland&ndash
Angular Dependency of Hyperspectral Measurements over Wheat Characterized by a Novel UAV Based Goniometer
2015
In this study we present a hyperspectral flying goniometer system, based on a rotary-wing unmanned aerial vehicle (UAV) equipped with a spectrometer mounted on an active gimbal. We show that this approach may be used to collect multiangular hyperspectral data over vegetated environments. The pointing and positioning accuracy are assessed using structure from motion and vary from σ = 1° to 8° in pointing and σ = 0.7 to 0.8 m in positioning. We use a wheat dataset to investigate the influence of angular effects on the NDVI, TCARI and REIP vegetation indices. Angular effects caused significant variations on the indices: NDVI = 0.83–0.95; TCARI = 0.04–0.116; REIP = 729–735 nm. Our analysis high…
An Optoelectronic System for Measuring the Range of Motion in Healthy Volunteers: A Cross-Sectional Study.
2019
Background and Objectives: Within the clinical evaluation of multiple pathologies of the lower limb, the measurement of range of motion (ROM) of its joints is fundamental. To this end, there are various tools, from the goniometer as a reference to more recent devices such as inclinometry-based applications, photo capture applications, or motion capture systems. This study aimed to assess the validity, intra-rater, and inter-rater reliability of the VeloFlex system (VS), which is a new camera-based tool designed for tracking joint trajectories and measuring joint ROM. Materials and Methods: Thirty-five healthy volunteers (16 females