Anna J. Parker
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View article: A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals
A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals Open
The energies and geometries of the lowest lying singlet and triplet states of the four diradicals formed by removing two H atoms from thiophene have been characterized. We utilized the highly correlated, multireference methods configuratio…
View article: Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for <i>ortho</i>-, <i>meta</i>- and <i>para</i>-Benzyne
Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for <i>ortho</i>-, <i>meta</i>- and <i>para</i>-Benzyne Open
The diradical benzyne isomers are excellent prototypes for evaluating the ability of an electronic structure method to describe static and dynamic correlation. The benzyne isomers are also interesting molecules with which to study the fund…
View article: Robust parahydrogen-induced polarization at high concentrations
Robust parahydrogen-induced polarization at high concentrations Open
Parahydrogen-induced polarization (PHIP) is a potent technique for generating target molecules with high nuclear spin polarization. The PHIP process involves a chemical reaction between parahydrogen and a target molecule, followed by the t…
View article: Robust Parahydrogen-Induced Polarization at High Concentrations
Robust Parahydrogen-Induced Polarization at High Concentrations Open
Parahydrogen-Induced Polarization (PHIP) is a potent technique for generating target molecules with high nuclear spin polarization. The PHIP process involves a chemical reaction between parahydrogen and a target molecule, followed by the t…
View article: Solution‐State 2D NMR Spectroscopy of Mixtures HyperpolarizedUsing Optically Polarized Crystals
Solution‐State 2D NMR Spectroscopy of Mixtures HyperpolarizedUsing Optically Polarized Crystals Open
The HYPNOESYS method (Hyperpolarized NOE System), which relies on the dissolution of optically polarized crystals, has recently emerged as a promising approach to enhance the sensitivity of NMR spectroscopy in the solution state. However, …
View article: Genetic Predictive Factors for Nonsusceptible Phenotypes and Multidrug Resistance in Expanded-Spectrum Cephalosporin-Resistant Uropathogenic Escherichia coli from a Multicenter Cohort: Insights into the Phenotypic and Genetic Basis of Coresistance
Genetic Predictive Factors for Nonsusceptible Phenotypes and Multidrug Resistance in Expanded-Spectrum Cephalosporin-Resistant Uropathogenic Escherichia coli from a Multicenter Cohort: Insights into the Phenotypic and Genetic Basis of Coresistance Open
The rising incidence of resistance to expanded-spectrum cephalosporins among Escherichia coli strains, the most common cause of UTIs, is threatening our ability to successfully empirically treat these infections. ESCR E. coli strains are o…
View article: Scalable and Tunable Diamond Nanostructuring Process for Nanoscale NMR Applications
Scalable and Tunable Diamond Nanostructuring Process for Nanoscale NMR Applications Open
Nanostructuring of a bulk material is used to change its mechanical, optical, and electronic properties and to enable many new applications. We present a scalable fabrication technique that enables the creation of densely packed diamond na…
View article: Hyperpolarized Solution-State NMR Spectroscopy with Optically Polarized Crystals
Hyperpolarized Solution-State NMR Spectroscopy with Optically Polarized Crystals Open
Nuclear spin hyperpolarization provides a promising route to overcome the challenges imposed by the limited sensitivity of nuclear magnetic resonance. Here we demonstrate that dissolution of spin-polarized pentacene-doped naphthalene cryst…
View article: Hyperpolarized solution-state NMR spectroscopy with optically polarized crystals
Hyperpolarized solution-state NMR spectroscopy with optically polarized crystals Open
Nuclear spin hyperpolarization provides a promising route to overcome the challenges imposed by the limited sensitivity of nuclear magnetic resonance. Here we demonstrate that dissolution of spin-polarized pentacene-doped naphthalene cryst…
View article: Optically pumped dynamic nuclear hyperpolarization in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mi mathvariant="normal">C</mml:mi><mml:mprescripts/><mml:none/><mml:mn>13</mml:mn></mml:mmultiscripts></mml:math>-enriched diamond
Optically pumped dynamic nuclear hyperpolarization in -enriched diamond Open
We investigate nuclear spin hyperpolarization from nitrogen vacancy centers\nin isotopically enriched diamonds with $^{13}$C concentrations up to 100%.\n$^{13}$C enrichment leads to hyperfine structure of the nitrogen vacancy\nelectron spi…
View article: Multispin-assisted optical pumping of bulk <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mmultiscripts><mml:mi mathvariant="normal">C</mml:mi><mml:mprescripts/><mml:none/><mml:mn>13</mml:mn></mml:mmultiscripts></mml:math> nuclear spin polarization in diamond
Multispin-assisted optical pumping of bulk nuclear spin polarization in diamond Open
One of the most remarkable properties of the nitrogen-vacancy (NV) center in diamond is that optical illumination initializes its electronic spin almost completely, a feature that can be exploited to polarize other spin species in their pr…
View article: Multi-spin-assisted optical pumping of bulk 13C nuclear spin polarization in diamond
Multi-spin-assisted optical pumping of bulk 13C nuclear spin polarization in diamond Open
One of the most remarkable properties of the nitrogen-vacancy (NV) center in diamond is that optical illumination initializes its electronic spin almost completely, a feature that can be exploited to polarize other spin species in their pr…
View article: Optically detected magnetic resonance of nitrogen vacancies in a diamond anvil cell using designer diamond anvils
Optically detected magnetic resonance of nitrogen vacancies in a diamond anvil cell using designer diamond anvils Open
Optically detected magnetic resonance of nitrogen vacancy centers in diamond offers novel routes to both DC and AC magnetometry in diamond anvil cells under high pressures ($>3$ GPa). However, a serious challenge to realizing experiments h…
View article: Understanding the magnetic resonance spectrum of nitrogen vacancy centers in an ensemble of randomly-oriented nanodiamonds
Understanding the magnetic resonance spectrum of nitrogen vacancy centers in an ensemble of randomly-oriented nanodiamonds Open
Nanodiamonds containing nitrogen vacancy (NV-) centers show promise for a number of emerging applications including targeted in vivo imaging and generating nuclear spin hyperpolarization for enhanced NMR spectroscopy and imaging. Here, we …
View article: Decoherence-protected transitions of nitrogen vacancy centers in 99% 13C-enriched diamond
Decoherence-protected transitions of nitrogen vacancy centers in 99% 13C-enriched diamond Open
Nitrogen vacancy (NV-) color centers in diamond are a prime candidate for use in quantum information devices, owing to their spin-1 ground state, straightforward optical initialization and readout, and long intrinsic coherence times in a r…