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Showing 1 to 12 of 606 entries
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Capturing computational thinking in public libraries: An examination of assessment strategies, audience, and mindset

Broadening Participation in Computing AND Program Evaluation

Koren N, Subramaniam M.
GSID: 4nXok6mw0ToJ
M Subramaniam, N Koren… - … of Librarianship and …, 2022 - journals.sagepub.com

This study examines the current state of assessment of computational thinking (CT) programming in public libraries in the United States. In particular, this study identifies the assessment tools and strategies that public library staff use to evaluate the success...

Research Productivity Among Practitioners in Behavior Analysis: Recommendations from the Prolific.

Behavior analysis in practice

Kelley DP, Wilder DA, Carr JE, Rey C, Green N, Lipschultz J.
PMID: 27703919
Behav Anal Pract. 2015 Jun 04;8(2):201-206. doi: 10.1007/s40617-015-0064-1. eCollection 2015 Oct.

No abstract available.

Heisenberg Exchange in Dinuclear Manganese Complexes:  A Density Functional Theory Study.

Journal of chemical theory and computation

Rudberg E, Sałek P, Rinkevicius Z, Ågren H.
PMID: 26633057
J Chem Theory Comput. 2006 Jul;2(4):981-9. doi: 10.1021/ct050325b.

This work presents a systematic investigation of the performance of broken symmetry density functional theory for the evaluation of Heisenberg exchange constants. We study dinuclear Mn(IV)-Mn(IV) complexes with bis(μ-oxo), bis(μ-oxo)(μ-carboxylato), and tris(μ-oxo) cores for this purpose, as these are...

Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations.

Nanoscale

Monti S, Carravetta V, Ågren H.
PMID: 27305447
Nanoscale. 2016 Jul 14;8(26):12929-38. doi: 10.1039/c6nr03181a. Epub 2016 Jun 15.

The dynamics of gold nanoparticle functionalization by means of adsorption of cysteine molecules in water solution is simulated through classical reactive molecular dynamics simulations based on an accurately parametrized force field. The adsorption modes of the molecules are characterized...

Energy-Cascaded Upconversion in an Organic Dye-Sensitized Core/Shell Fluoride Nanocrystal.

Nano letters

Chen G, Damasco J, Qiu H, Shao W, Ohulchanskyy TY, Valiev RR, Wu X, Han G, Wang Y, Yang C, Ågren H, Prasad PN.
PMID: 26487489
Nano Lett. 2015 Nov 11;15(11):7400-7. doi: 10.1021/acs.nanolett.5b02830. Epub 2015 Oct 23.

Lanthanide-doped upconversion nanoparticles hold promises for bioimaging, solar cells, and volumetric displays. However, their emission brightness and excitation wavelength range are limited by the weak and narrowband absorption of lanthanide ions. Here, we introduce a concept of multistep cascade...

OUTCROSSING RATE AND INBREEDING DEPRESSION IN TWO ANNUAL MONOECIOUS HERBS, BEGONIA HIRSUTA AND B. SEMIOVATA.

Evolution; international journal of organic evolution

Ågren J, Schemske DW.
PMID: 28568096
Evolution. 1993 Feb;47(1):125-135. doi: 10.1111/j.1558-5646.1993.tb01204.x.

Most models of mating-system evolution predict inbreeding depression to be low in inbred populations due to the purging of deleterious recessive alleles. This paper presents estimates of outcrossing rates and inbreeding depression for two highly selfing, monoecious annuals Begonia...

POPULATION STRUCTURE AND MORPH-SPECIFIC FITNESS DIFFERENCES IN TRISTYLOUS LYTHRUM SALICARIA.

Evolution; international journal of organic evolution

Ågren J, Ericson L.
PMID: 28568877
Evolution. 1996 Feb;50(1):126-139. doi: 10.1111/j.1558-5646.1996.tb04479.x.

In tristylous plant populations, style-morph frequencies are governed by an interaction between frequency-dependent selection due to disassortative mating and stochastic processes. Provided that there are no inherent fitness differences among morphs, frequency-dependent selection should result in equal morph frequencies...

Artificial selection on trichome number in Brassica rapa.

TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik

Agren J, Schemske DW.
PMID: 24202739
Theor Appl Genet. 1992 Apr;83(6):673-8. doi: 10.1007/BF00226683.

We examined genetic variation for trichome production in a rapid-cycling population of Brassica rapa by conducting a selection experiment and by growing progeny from maternal seed families. Data from the maternal families were also used to estimate the genetic...

Binding Mechanism and Magnetic Properties of a Multifunctional Spin Label for Targeted EPR Imaging of Amyloid Proteins: Insight from Atomistic Simulations and First-Principles Calculations.

Journal of chemical theory and computation

Li X, Rinkevicius Z, Kongsted J, Murugan NA, Ågren H.
PMID: 26605629
J Chem Theory Comput. 2012 Nov 13;8(11):4766-74. doi: 10.1021/ct300606q. Epub 2012 Oct 23.

Electron paramagnetic resonance (EPR) imaging techniques provide a promising approach to detect amyloid structures which are of paramount importance in early-stage diagnosis of conformational diseases. Here, we report a combined molecular dynamics and density functional theory/molecular mechanics computational scheme...

Strong Two-Photon Circular Dichroism in Helicenes:  A Theoretical Investigation.

Journal of chemical theory and computation

Jansík B, Rizzo A, Ågren H, Champagne B.
PMID: 26620786
J Chem Theory Comput. 2008 Mar;4(3):457-67. doi: 10.1021/ct700329a.

Using a recently derived origin-invariant quadratic response approach combined with time-dependent density functional theory, four representative helicenes are shown to present a very strong two-photon circular dichroism (TPCD) response, which makes them candidates for the first experimental observation of...

Comparative study on pyrido[3,4-b]pyrazine-based sensitizers by tuning bulky donors for dye-sensitized solar cells.

ACS applied materials & interfaces

Zhang X, Mao J, Wang D, Li X, Yang J, Shen Z, Wu W, Li J, Ågren H, Hua J.
PMID: 25580622
ACS Appl Mater Interfaces. 2015 Feb 04;7(4):2760-71. doi: 10.1021/am507824h. Epub 2015 Jan 23.

Dye-sensitized solar cells (DSSCs) with cobalt electrolytes have gained increasing attention. In this Research Article, two new pyrido[3,4-b]pyrazine-based sensitizers with different cores of bulky donors (indoline for DT-1 and triphenylamine for DT-2) were designed and synthesized for a comparative...

Far-Zone Resonant Energy Transfer in X-ray Photoemission as a Structure Determination Tool.

The journal of physical chemistry letters

Céolin D, Rueff JP, Zimin A, Morin P, Kimberg V, Polyutov S, Ågren H, Gel'mukhanov F.
PMID: 28562043
J Phys Chem Lett. 2017 Jun 15;8(12):2730-2734. doi: 10.1021/acs.jpclett.7b00835. Epub 2017 Jun 07.

Near-zone Förster resonant energy transfer is the main effect responsible for excitation energy flow in the optical region and is frequently used to obtain structural information. In the hard X-ray region, the Förster law is inadequate because the wavelength...

Showing 1 to 12 of 606 entries