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10 Matching Results
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Reformulation of DFT + U as a Pseudohybrid Hubbard Density Funcitonal for Accelerated Materials Discovery
This article introduces ACBN0, a pseudohybrid Hubbard density functional that yields an improved prediction of the band structure of insulators such as transition-metal oxides, with only a negligible increase in computational cost.
Date:
January 28, 2015
Creator:
Agapito, Luis A.; Curtarolo, Stefano & Buongiorno Nardelli, Marco
Object Type:
Article
System:
The UNT Digital Library
Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)
Article on temperature and pressure dependence of the reaction S + CS (+M) → CS2 (+M).
Date:
January 27, 2015
Creator:
Glarborg, Peter; Marshall, Paul & Troe, Jürgen
Object Type:
Article
System:
The UNT Digital Library
Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2
Article on glyoxal oxidation mechanism and implications for the reactions HCO + O2 and OCHCHO + HO2.
Date:
January 22, 2015
Creator:
Faßheber, Nancy; Friedrichs, Gernot; Marshall, Paul & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
The Association between Hantavirus Infection and Selenium Deficiency in Mainland China
This article studies the role of selenium concentration in hemorrhagic fever with renal syndrome (HFRS) caused by hantaviruses, using a multidisciplinary approach combining ecological analysis with preliminary experimental data.
Date:
January 20, 2015
Creator:
Fang, Liqun; Goeijenbier, Marco; Zuo, Shu-Qing; Wang, Li-Ping; Liang, Song; Klein, Sabra L. et al.
Object Type:
Article
System:
The UNT Digital Library
The Spreading of Charged Micro-Droplets
This article considers the analysis of the Betelu-Fontelos model of the spreading of a charged microdroplet on a at dielectric surface whose spreading is driven by surface tension and electrostatic repulsion.
Date:
January 20, 2015
Creator:
Iaia, Joseph A.
Object Type:
Article
System:
The UNT Digital Library
Excitation of the n=2 levels of hydrogen by proton impact for hydrogen beam diagnostics
This article describes the atomic orbital close coupling results for excitation to the n=2 states to document the computational procedure adopted and to convey new insight into the behavior of these fundamental cross sections.
Date:
January 15, 2015
Creator:
Schultz, David R. & Ovchinnikov, S.Y.
Object Type:
Article
System:
The UNT Digital Library
State-selective charge transfer cross sections for light ion impact of atomic hydrogen
This article compares results of approaches applicable in a lower impact energy regime by benchmarking them using key experimental data in order to make knowledge of these cross sections available across the range parameters needed by fusion plasma diagnostics.
Date:
January 15, 2015
Creator:
Schultz, David R.; Stancil, P.C. & Havener, C.C.
Object Type:
Article
System:
The UNT Digital Library
Comment on "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata"
This article gives comment to a previous article published in 'Molecular Pharmaceuticals' titled, "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata."
Date:
January 13, 2015
Creator:
Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Complexity matching in neural networks
This article adopts the complexity matching principle that the maximal efficiency of communication between two complex networks is realized when both of them are at criticality, and uses this principle to establish the value of the neuronal interaction strength at which criticality occurs.
Date:
January 9, 2015
Creator:
Mafahim, Javad Usefie; Lambert, David; Zare, Marzieh & Grigolini, Paolo
Object Type:
Article
System:
The UNT Digital Library
Dynamics of Epigenetic Phenomena: Intergenerational and Intragenerational Phenotype 'Washout'
This review contains a discussion of epigenetic dynamics in comparative biology with a focus on a more organismal level perspective, befitting of comparative physiology, that considers complex phenotypic changes.
Date:
January 7, 2015
Creator:
Burggren, Warren W.
Object Type:
Review
System:
The UNT Digital Library