Density-functional thermochemistry. III. The role of exact exchange
Despite the remarkable thermochemical accuracy of Kohn–Sham density-functional theories with gradient corrections for exchange-correlation [see, for example, A. D. Becke, J. Che...
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184 publications
MUSCLE: multiple sequence alignment with high accuracy and high throughput
We describe MUSCLE, a new computer program for creating multiple alignments of protein sequences. Elements of the algorithm include fast distance estimation using kmer counting,...
The Discovery of Grounded Theory; Strategies for Qualitative Research
Most writing on sociological method has been concerned with how accurate facts can be obtained and how theory can thereby be more rigorously tested. In The Discovery of Grounded...
Structural equation modeling in practice: A review and recommended two-step approach.
In this article, we provide guidance for substantive researchers on the use of structural equation modeling in practice for theory testing and development. We present a comprehe...
Comparative fit indexes in structural models.
Normed and nonnormed fit indexes are frequently used as adjuncts to chi-square statistics for evaluating the fit of a structural model. A drawback of existing indexes is that th...
Intraclass correlations: Uses in assessing rater reliability.
Reliability coefficients often take the form of intraclass correlation coefficients. In this article, guidelines are given for choosing among six different forms of the intracla...
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
We measured the elastic properties and intrinsic breaking strength of free-standing monolayer graphene membranes by nanoindentation in an atomic force microscope. The force-disp...
Evaluating Goodness-of-Fit Indexes for Testing Measurement Invariance
Abstract Measurement invariance is usually tested using Multigroup Confirmatory Factor Analysis, which examines the change in the goodness-of-fit index (GFI) when cross-group co...
Introduction to Information Retrieval
Class-tested and coherent, this textbook teaches classical and web information retrieval, including web search and the related areas of text classification and text clustering f...
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structur...
Sensitivity of Goodness of Fit Indexes to Lack of Measurement Invariance
Two Monte Carlo studies were conducted to examine the sensitivity of goodness of fit indexes to lack of measurement invariance at 3 commonly tested levels: factor loadings, inte...
Immediate Psychological Responses and Associated Factors during the Initial Stage of the 2019 Coronavirus Disease (COVID-19) Epidemic among the General Population in China
Background: The 2019 coronavirus disease (COVID-19) epidemic is a public health emergency of international concern and poses a challenge to psychological resilience. Research da...