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Showing 1 to 12 of 277 entries
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The potential roles of self‐fulfilling prophecies, stigma consciousness, and stereotype threat in linking Latino/a ethnicity and educational outcomes

stereotype threat

Guyll M, Madon S.
GSID: bdzvZb7ac3IJ
M Guyll, S Madon, L Prieto… - Journal of Social Issues, 2010 - Wiley Online Library

… Strength of stereotype threat Conditions that promote stereotype threat could have a larger effect among those with stronger ethnic identities if these individuals experience the threat or …

Role of Hydrogen Bonding on the Reactivity of Thiyl Radicals: A Mass Spectrometric and Computational Study Using the Distonic Radical Ion Approach.

The journal of physical chemistry. A

Osburn S, Chan B, Ryzhov V, Radom L, O'Hair RAJ.
PMID: 27726360
J Phys Chem A. 2016 Oct 20;120(41):8184-8189. doi: 10.1021/acs.jpca.6b08544. Epub 2016 Oct 11.

Experimental and computational quantum chemistry investigations of the gas-phase ion-molecule reactions between the distonic ions

W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost.

Journal of chemical theory and computation

Chan B, Radom L.
PMID: 26605589
J Chem Theory Comput. 2012 Nov 13;8(11):4259-69. doi: 10.1021/ct300632p. Epub 2012 Sep 19.

We have examined a number of approaches for reducing the computational requirements of the W1w and W1-F12 procedures, while maintaining the accuracy. A key finding is that MP2/cc-pCVTZ provides a reliable means for the evaluation of core-correlation effects at...

Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical Investigation.

Journal of chemical theory and computation

Wood GP, Gordon MS, Radom L, Smith DM.
PMID: 26620181
J Chem Theory Comput. 2008 Oct 14;4(10):1788-94. doi: 10.1021/ct8002942.

Quantum chemistry calculations and classical molecular dynamics simulations have been used to examine the equilibria in solution between the neutral and zwitterionic forms of glycine and also of the glycyl radical. The established preference (by 30 kJ mol(-1)) for...

Interaction of dermatologically relevant nanoparticles with skin cells and skin.

Beilstein journal of nanotechnology

Vogt A, Rancan F, Ahlberg S, Nazemi B, Choe CS, Darvin ME, Hadam S, Blume-Peytavi U, Loza K, Diendorf J, Epple M, Graf C, Rühl E, Meinke MC, Lademann J.
PMID: 25551064
Beilstein J Nanotechnol. 2014 Dec 08;5:2363-73. doi: 10.3762/bjnano.5.245. eCollection 2014.

The investigation of nanoparticle interactions with tissues is complex. High levels of standardization, ideally testing of different material types in the same biological model, and combinations of sensitive imaging and detection methods are required. Here, we present our studies...

Beyond the Halogen Bond: Examining the Limits of Extended Polybromide Networks through Quantum-Chemical Investigations.

Chemistry, an Asian journal

Easton ME, Chan B, Masters AF, Radom L, Maschmeyer T.
PMID: 26833846
Chem Asian J. 2016 Mar 04;11(5):682-6. doi: 10.1002/asia.201501316. Epub 2016 Feb 04.

The bonding environments of some polybromide monoanions and networks were examined by quantum-chemical methods to investigate electronic interactions between dibromine-dibromine contacts. Examination of thermodynamic parameters and a bond critical point analysis give strong evidence for such bonding modes, which...

Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals.

Journal of chemical theory and computation

Chan B, Gilbert AT, Gill PM, Radom L.
PMID: 26588522
J Chem Theory Comput. 2014 Sep 09;10(9):3777-83. doi: 10.1021/ct500506t.

We have examined the performance of a variety of density functional theory procedures for the calculation of complexation energies and proton-exchange barriers, with a focus on the Minnesota-class of functionals that are generally highly robust and generally show good...

H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations.

The journal of physical chemistry. A

Krechkivska O, Wilcox CM, Chan B, Jacob R, Liu Y, Nauta K, Kable SH, Radom L, Schmidt TW.
PMID: 25756850
J Phys Chem A. 2015 Apr 02;119(13):3225-32. doi: 10.1021/acs.jpca.5b01652. Epub 2015 Mar 19.

Excitation spectra of the 1H-naphthalene (1-C10H9) and 1D-naphthalene (1-C10H8D) radicals, and their cations, are obtained by laser spectroscopy and mass spectrometry of a skimmed free-jet expansion following an electrical discharge. The spectra are assigned on the basis of density...

A graduate school for psychiatric education of physicians in mental hospital service.

The American journal of psychiatry

HOCH PH, RADO S.
PMID: 13714770
Am J Psychiatry. 1961 Apr;117:883-6. doi: 10.1176/ajp.117.10.883.

No abstract available.

Fulvalenes, Fulvenes, and Related Molecules: An ab Initio Study.

The Journal of organic chemistry

Scott AP, Agranat I, Biedermann PU, Riggs NV, Radom L.
PMID: 11671506
J Org Chem. 1997 Apr 04;62(7):2026-2038. doi: 10.1021/jo962407l.

Ab initio calculations using conventional (HF/6-31G and MP2/6-31G) and density functional theory (B-LYP/6-31G) methods have been used to determine the structures of the [n]fulvene and [n,m]fulvalene (n, m = 3, 5, 7) series of molecules, with particular emphasis on...

Ab initio evidence for slow fragmentation in RAFT polymerization.

Journal of the American Chemical Society

Coote ML, Radom L.
PMID: 12568604
J Am Chem Soc. 2003 Feb 12;125(6):1490-1. doi: 10.1021/ja028645h.

High-level ab initio molecular orbital calculations on model reversible addition-fragmentation transfer (RAFT) polymerization reactions indicate that the retardation effect that is widely observed for methyl acrylate polymerization in the presence of cumyl dithiobenzoate may be attributed to the slow...

Hemispiroalkaplanes: hydrocarbon cage systems with a pyramidal-tetracoordinate carbon atom and remarkable basicity.

Chemistry (Weinheim an der Bergstrasse, Germany)

Rasmussen DR, Radom L.
PMID: 10939749
Chemistry. 2000 Jul 03;6(13):2470-83. doi: 10.1002/1521-3765(20000703)6:13<2470::aid-chem2470>3.0.co;2-k.

A new class of saturated hydrocarbons, in which a spiropentane-type unit is bound by a cyclic hydrocarbon, has been investigated by using ab initio molecular orbital calculations at the B3-LYP and MP2 levels. These molecules have been given the...

Showing 1 to 12 of 277 entries