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Showing 13 to 24 of 559 entries
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Mass density fluctuations in quantum and classical descriptions of liquid water.

The Journal of chemical physics

Galib M, Duignan TT, Misteli Y, Baer MD, Schenter GK, Hutter J, Mundy CJ.
PMID: 28668048
J Chem Phys. 2017 Jun 28;146(24):244501. doi: 10.1063/1.4986284.

First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe the properties of water at ambient conditions. This study also demonstrates the consistency...

The Ambiguity of .

Frontiers in psychology

Hayn-Leichsenring GU.
PMID: 29123494
Front Psychol. 2017 Oct 24;8:1857. doi: 10.3389/fpsyg.2017.01857. eCollection 2017.

The aim of this work is to provide researchers from the field of aesthetics with a guideline on working with artworks as stimuli. Empirical aesthetics research is complicated by the uncertainty of the object of research. There is no...

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions.

The Journal of chemical physics

Duignan TT, Baer MD, Schenter GK, Mundy CJ.
PMID: 29096478
J Chem Phys. 2017 Oct 28;147(16):161716. doi: 10.1063/1.4994912.

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and...

[Not Available].

Vnitrni lekarstvi

Gregor P.
PMID: 24303564
Vnitr Lek. 2013 Oct;59(10):874-5.

No abstract available.

Effect of the bone heterogeneity on the dose prescription in orthovoltage radiotherapy: A Monte Carlo study.

Reports of practical oncology and radiotherapy : journal of Greatpoland Cancer Center in Poznan and Polish Society of Radiation Oncology

Chow JC, Grigorov GN.
PMID: 24376995
Rep Pract Oncol Radiother. 2011 Nov 15;17(1):38-43. doi: 10.1016/j.rpor.2011.09.001. eCollection 2011.

BACKGROUND: In orthovoltage radiotherapy, since the dose prescription at the patient's surface is based on the absolute dose calibration using water phantom, deviation of delivered dose is found as the heterogeneity such as bone present under the patient's surface.AIM:...

Insertion reactions of metal carbonyl anions with methyl formate in the gas phase as revealed by (13)C- and D-labeling.

Journal of the American Society for Mass Spectrometry

van den Berg KJ, Ingemann S, Nibbering NM, Gregor IK.
PMID: 24222620
J Am Soc Mass Spectrom. 1994 Jun;5(6):525-36. doi: 10.1016/1044-0305(94)90001-9.

School of Chemistry, University of New South Wales, Kensington, Australia Institute of Mass Spectrometry, University of Amsterdam, Nieuwe Achtergracht The gas-phase reactions of coordinatively unsaturated metal carbonyl anions (M(CO) n (-) , M=Cr, Mn, Fe, Co; n=0-3 and Co(CO)nNO(-),...

Only accessible information is useful: insights from gradient-mediated patterning.

Royal Society open science

Tikhonov M, Little SC, Gregor T.
PMID: 26716005
R Soc Open Sci. 2015 Nov 25;2(11):150486. doi: 10.1098/rsos.150486. eCollection 2015 Nov.

Information theory is gaining popularity as a tool to characterize performance of biological systems. However, information is commonly quantified without reference to whether or how a system could extract and use it; as a result, information-theoretic quantities are easily...

The Development of Orange Pigment Overlying Choroidal Metastasis.

Ocular oncology and pathology

Riechardt AI, Gundlach E, Joussen AM, Willerding GD.
PMID: 27171491
Ocul Oncol Pathol. 2015 Feb;1(2):93-7. doi: 10.1159/000369823. Epub 2015 Jan 09.

AIMS: The aim of this study was to correlate the ophthalmoscopic and histopathological findings of orange pigment overlying a choroidal metastasis.METHODS: This is a single case report with clinical follow-up and histopathological examination.RESULTS: Histopathology revealed a choroidal metastasis with...

Comparison of SIRT and SQS for Regularized Weighted Least Squares Image Reconstruction.

IEEE transactions on computational imaging

Gregor J, Fessler JA.
PMID: 26478906
IEEE Trans Comput Imaging. 2015 Mar;1(1):44-55. doi: 10.1109/TCI.2015.2442511. Epub 2015 Jun 05.

Tomographic image reconstruction is often formulated as a regularized weighted least squares (RWLS) problem optimized by iterative algorithms that are either inherently algebraic or derived from a statistical point of view. This paper compares a modified version of SIRT...

Isotope analysis in the transmission electron microscope.

Nature communications

Susi T, Hofer C, Argentero G, Leuthner GT, Pennycook TJ, Mangler C, Meyer JC, Kotakoski J.
PMID: 27721420
Nat Commun. 2016 Oct 10;7:13040. doi: 10.1038/ncomms13040.

The Ångström-sized probe of the scanning transmission electron microscope can visualize and collect spectra from single atoms. This can unambiguously resolve the chemical structure of materials, but not their isotopic composition. Here we differentiate between two isotopes of the...

Assessing early fitness consequences of exotic gene flow in the wild: a field study with Iberian pine relicts.

Evolutionary applications

Unger GM, Heuertz M, Vendramin GG, Robledo-Arnuncio JJ.
PMID: 26834830
Evol Appl. 2016 Jan 09;9(2):367-80. doi: 10.1111/eva.12333. eCollection 2016 Feb.

Gene flow from plantations of nonlocal (genetically exotic) tree provenances into natural stands of the same species is probably a widespread phenomenon, but its effects remain largely unexamined. We investigated early fitness consequences of intraspecific exotic gene flow in...

Ligand Layer Engineering To Control Stability and Interfacial Properties of Nanoparticles.

Langmuir : the ACS journal of surfaces and colloids

Schulz F, Dahl GT, Besztejan S, Schroer MA, Lehmkühler F, Grübel G, Vossmeyer T, Lange H.
PMID: 27458652
Langmuir. 2016 Aug 09;32(31):7897-907. doi: 10.1021/acs.langmuir.6b01704. Epub 2016 Jul 26.

The use of mixed ligand layers including poly(ethylene glycol)-based ligands for the functionalization of nanoparticles is a very popular strategy in the context of nanomedicine. However, it is challenging to control the composition of the ligand layer and maintain...

Showing 13 to 24 of 559 entries