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๐Ÿ” philip hackney ๐Ÿ“‚ Chemistry
Showing 11 results for "philip hackney" in Chemistry
Chemistry Preprint PDF DOI

Projected Augmented Waves (PAW) motivated mixed basis sets for small molecules

Garry Goldstein ยท 2024

The success behind many pseudopotential methods, such as the Projected Augmented Waves (PAW) and the Phillips-Kleinman pseudopotential methods, is that these methods are nearly all electron methods inโ€ฆ

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Chemistry Preprint PDF DOI

Symmetry constraints on spin order transfer in parahydrogen-induced polarization (PHIP)

Andrey N. Pravdivtsev, Danila A. Barskiy, Jan-Bernd Hovener, Igor V. Koptyug ยท 2021

It is well known that the association of parahydrogen (pH2) with an unsaturated molecule or a transient metalorganic complex can enhance the intensity of NMR signals; the effect is known as parahydrogโ€ฆ

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Chemistry Preprint PDF DOI

Effect of the hydrogenation solvent in the PHIP-SAH hyperpolarization of [1- 13 C]pyruvate

Oksana Bondar, Eleonora Cavallari, Carla Carrera, Silvio Aime, Francesca Reineri ยท 2021

ParaHydrogen Induced Polarization-Side Arm Hydrogenation (PHIP-SAH) is an inexpensive tool to obtain hyperpolarized pyruvate (and other metabolites) that can be applied to in-vivo diagnostics, for theโ€ฆ

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Chemistry Preprint PDF DOI

The rigorous criteria for the phase transitions in Coulomb crystals

A.V. Romanova, S.S. Rudyi, Y.V. Rozhdestvensky ยท 2021

The present work suggests rigorous criteria to determine phase transitions in Coulomb crystals in a linear ion trap. The proposed method is based on the analysis of a cross size $\rho_i$ and relative โ€ฆ

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Chemistry Preprint PDF DOI

NOE-less protein structures-an alternative paradigm in Highly Paramagnetic Systems

Ines Trindade, Michele Invernici, Francesca Cantini, Ricardo O Louro, Mario Piccioli ยท 2020

The current paradigm for protein structure determination by NMR spectroscopy has thus far been based on collecting distance restrains between pairs of nuclei in the form of nuclear Overhauser enhancemโ€ฆ

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Chemistry Preprint PDF DOI

Continuous Radio Amplification by Stimulated Emission using Parahydrogen Induced Polarization (PHIP-RASER) at 14 Tesla

Andrey N. Pravdivtsev, Frank D. Sonnichsen, Jan-Bernd Hovener ยท 2019

Nuclear Magnetic Resonance (NMR) is an intriguing quantum-mechanical effect that is used for daily life medical diagnostics and chemical analysis alike. Numerous advancements have contributed to the sโ€ฆ

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Chemistry Preprint PDF DOI

Environmental high resolution electron microscopy and applications to chemical science

Edward Boyes, Pratibha Gai ยท 2017

An environmental cell high resolution electron microscope (EHREM) has been developed for in situ studies of dynamic chemical reactions on the atomic scale. It allows access to metastable intermediate โ€ฆ

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Chemistry Preprint PDF DOI

Maria Goeppert Mayer's Theoretical Work on Rare-Earth and Transuranic Elements

Frank Y. Wang ยท 2008

After the discovery of element 93 neptunium by Edwin McMillan and Philip H. Abelson in 1941, Maria Goeppert Mayer applied the Thomas-Fermi model to calculate the electronic configuration of heavy elemโ€ฆ

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Chemistry Peer-Reviewed PDF DOI

On-line comprehensive two-dimensional separations of charged compounds using reversed-phase high performance liquid chromatography and hydrophilic interaction chromatography. Part I: orthogonality and practical peak capacity considerations.

 ยท 1970

Comprehensive on-line two-dimensional liquid chromatography is expected to generate impressive peak capacities, which makes it a method of choice for the analysis of complex samples such as pharmaceutโ€ฆ

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Chemistry Peer-Reviewed PDF DOI

Assessment of metal pollution in Onsan Bay, Korea using Asian periwinkle Littorina brevicula as a biomonitor.

 ยท 1970

Cadmium (Cd), lead (Pb), copper (Cu) and zinc (Zn) concentrations in the marine gastropod, Littorina brevicula Philippi, were determined to assess the metal pollution in Onsan Bay, Korea. Samples of Lโ€ฆ

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Chemistry Peer-Reviewed PDF DOI

Lipidomic Profiling of the Olive (Olea europaea

 ยท 1970

Olives (Olea europaea L.) are classic ingredients in the Mediterranean diet with well-known health benefits, but their lipid composition has not been fully addressed. In this work, we characterised trโ€ฆ

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