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Showing 1 to 12 of 319 entries
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Women of color in the workplace: Supports, barriers, and interventions

Stem career interventions

Dunn MG, Franco MG.
GSID: D0ReBpqi7CwJ
KM O'Brien, MG Franco, MG Dunn - … of race-ethnicity and gender in …, 2014 - Springer

The intersectionality of race and gender permeates the employment experiences of women of color (Padavic & Reskin, Women and men at work. Pine Forge, 2002). In the workplace, women of color experience multiple sources of discrimination based on race,...

Impact of identity invalidation for Black multiracial people: The importance of race of perpetrator

race as an overall term & individual races (e.g. American Indian

Franco MG.
GSID: LvKOB6Sd8LMJ
MG Franco, SA Franco - Journal of Black Psychology, 2016 - journals.sagepub.com

… of similar races share common experiences. Thus, the current study uses the term racial … the following: Black or African American, White, Hispanic/Latino, American Indian or Alaska …

MP2 energy evaluation by direct methods

evaluation

Head-Gordon M, Frisch MJ.
GSID: VTh-7PlLsG0J
M Head-Gordon, JA Pople, MJ Frisch - Chemical physics letters, 1988 - Elsevier

… is used for ERI evaluation and the first two partial transformations. The first example is cyclopentene, for which only one ERI evaluation is … the non-direct SCF and the disk-based MP2 job without ERI evaluation (similarly, the vectorized...

Re(I) complexes of substituted dppz: a computational and spectroscopic study.

Inorganic chemistry

van der Salm H, Fraser MG, Horvath R, Cameron SA, Barnsley JE, Sun XZ, George MW, Gordon KC.
PMID: 24559053
Inorg Chem. 2014 Mar 17;53(6):3126-40. doi: 10.1021/ic403056g. Epub 2014 Feb 21.

A series of dipyrido[3,2-a:2',3'-c]phenazine (dppz)-based ligands with electron-withdrawing substituents and their [Re(CO)3(L)Cl] and [Re(CO)3(L)(py)]PF6 complexes have been studied using Raman, resonance Raman, and transient resonance Raman (TR(2)) and time-resolved infrared (TRIR) spectroscopic techinques in conjunction with computational chemistry as...

Retracted: Elevated NADPH oxidase activity contributes to oxidative stress and cell death in Huntington's disease.

Human molecular genetics

Valencia A, Sapp E, Kimm JS, McClory H, Reeves PB, Alexander J, Ansong KA, Masso N, Frosch MP, Kegel KB, Li X, DiFiglia M.
PMID: 28973680
Hum Mol Genet. 2017 Nov 01;26(21):4314. doi: 10.1093/hmg/ddx303.

No abstract available.

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route.

Journal of chemical theory and computation

Egidi F, Williams-Young DB, Baiardi A, Bloino J, Scalmani G, Frisch MJ, Li X, Barone V.
PMID: 28453287
J Chem Theory Comput. 2017 Jun 13;13(6):2789-2803. doi: 10.1021/acs.jctc.7b00218. Epub 2017 May 24.

We present a reliable and cost-effective procedure for the inclusion of anharmonic effects in excited-state energies and spectroscopic intensities by means of second-order vibrational perturbation theory. This development is made possible thanks to a recent efficient implementation of excited-state...

Inhomogeneity induces relay synchronization in complex networks.

Physical review. E

Gambuzza LV, Frasca M, Fortuna L, Boccaletti S.
PMID: 27176289
Phys Rev E. 2016 Apr;93:042203. doi: 10.1103/PhysRevE.93.042203. Epub 2016 Apr 07.

Relay synchronization is a collective state, originally found in chains of interacting oscillators, in which uncoupled dynamical units synchronize through the action of mismatched inner nodes that relay the information but do not synchronize with them. It is demonstrated...

Gaps in US Animal Welfare Law for Laboratory Animals: Perspectives From an Animal Law Attorney.

ILAR journal

Frasch PD.
PMID: 29117399
ILAR J. 2016 May 01;57(3):285-292. doi: 10.1093/ilar/ilw016.

The use of animals in biomedical, toxicological, and basic research has been common practice, and a tool for scientists and researchers, for many years. And yet, serious conflict continues to exist between those who believe that the use of...

Editorial: Perinatology in the Era of Big Data and Nanoparticles.

Frontiers in pediatrics

Frasch MG.
PMID: 26594641
Front Pediatr. 2015 Nov 05;3:95. doi: 10.3389/fped.2015.00095. eCollection 2015.

No abstract available.

Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations.

Journal of chemical theory and computation

Lipparini F, Scalmani G, Mennucci B, Frisch MJ.
PMID: 26596295
J Chem Theory Comput. 2011 Mar 08;7(3):610-7. doi: 10.1021/ct1005906. Epub 2011 Jan 24.

We present a new strategy for the solution of the self-consistent field (SCF) equations when solvent effects are included by means of the polarizable continuum model (PCM). By exploiting the recently introduced variational formalism of the PCM (VPCM), we...

Projected Coupled Cluster Amplitudes from a Different Basis Set As Initial Guess.

Journal of chemical theory and computation

Caricato M, Trucks GW, Frisch MJ.
PMID: 26606341
J Chem Theory Comput. 2011 Apr 12;7(4):909-14. doi: 10.1021/ct100636a. Epub 2011 Feb 28.

Many model chemistry schemes require a sequence of high level calculations, often at the coupled cluster (CC) level, with increasingly larger basis sets. The CC equations are solved iteratively, and the rate of convergence strongly depends on the quality...

Quantifying Electron Delocalization in Electrides.

Journal of chemical theory and computation

Janesko BG, Scalmani G, Frisch MJ.
PMID: 26652208
J Chem Theory Comput. 2016 Jan 12;12(1):79-91. doi: 10.1021/acs.jctc.5b00993. Epub 2015 Dec 10.

Electrides are ionic solids whose anions are electrons confined to crystal voids. We show that our electron delocalization range function EDR(r;d), which quantifies the extent to which an electron at point r in a calculated wave function delocalizes over...

Showing 1 to 12 of 319 entries