Search Results - "Jordan, J. T."

An assessment of the tropospherically accessible photo-initiated ground state chemistry of organic carbonyls by Rowell, Keiran N, Kable, Scott H, Jordan, Meredith J. T

“…Carbonyls are among the most abundant volatile organic compounds in the atmosphere. They are central to atmospheric photochemistry as absorption of near-UV…”
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Infrared Spectra of Gas-Phase 1- and 2‑Propenol Isomers by Shaw, Miranda F, Osborn, David L, Jordan, Meredith J. T, Kable, Scott H

“…Fourier transform infrared spectra of isolated 1-propenol and 2-propenol in the gas-phase have been collected in the range of 900–3800 cm–1, and the absolute…”
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Photo-Tautomerization of Acetaldehyde to Vinyl Alcohol: A Potential Route to Tropospheric Acids by Andrews, Duncan U., Heazlewood, Brianna R., Maccarone, Alan T., Conroy, Trent, Payne, Richard J., Jordan, Meredith J. T., Kable, Scott H.

“…Current atmospheric models underestimate the production of organic acids in the troposphere. We report a detailed kinetic model of the photochemistry of…”
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Experimental and Theoretical Investigation of Triple Fragmentation in the Photodissociation Dynamics of H2CO by Hobday, Nicholas, Quinn, Mitch S, Nauta, Klaas, Andrews, Duncan U, Jordan, Meredith J. T, Kable, Scott H

“…The photodissociation dynamics of H2CO molecules at energies bracketing the triple fragmentation threshold were investigated using velocity map ion imaging of…”
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Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere by Shaw, Miranda F., Sztáray, Bálint, Whalley, Lisa K., Heard, Dwayne E., Millet, Dylan B., Jordan, Meredith J. T., Osborn, David L., Kable, Scott H.

“…Organic acids play a key role in the troposphere, contributing to atmospheric aqueous-phase chemistry, aerosol formation, and precipitation acidity…”
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A Phase Space Theory for Roaming Reactions by Andrews, Duncan U, Kable, Scott H, Jordan, Meredith J. T

“…We describe a new, simple theory for predicting the branching fraction of products in roaming reactions, compared to the analogous barrierless bond…”
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Structural Effects on the Norrish Type I α‑Bond Cleavage of Tropospherically Important Carbonyls by Rowell, Keiran N, Kable, Scott H, Jordan, Meredith J. T

“…Norrish Type I (NTI) α-bond cleavage is the dominant photolysis mechanism in small carbonyls and is an important source of radicals in the troposphere. In…”
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Photophysical oxidation of HCHO produces HO2 radicals by Welsh, Blair A., Corrigan, Maggie E., Assaf, Emmanuel, Nauta, Klaas, Sebastianelli, Paolo, Jordan, Meredith J. T., Fittschen, Christa, Kable, Scott H.

“…Formaldehyde, HCHO, is the highest-volume carbonyl in the atmosphere. It absorbs sunlight at wavelengths shorter than 330 nm and photolyses to form H and HCO…”
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Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation by Heazlewood, Brianna R, Jordan, Meredith J.T, Kable, Scott H, Selby, Talitha M, Osborn, David L, Shepler, Benjamin C, Braams, Bastiaan J, Bowman, Joel M

“…Reaction pathways that bypass the conventional saddle-point transition state (TS) are of considerable interest and importance. An example of such a pathway,…”
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Oxo-bridged isomers of aza-trishomocubane sigma (σ) receptor ligands: Synthesis, in vitro binding, and molecular modeling by Banister, Samuel D., Moussa, Iman A., Jordan, Meredith J.T., Coster, Mark J., Kassiou, Michael

“…The in vitro σ receptor affinity of aza-trishomocubyl hemiaminals, and their isomeric oxo-bridged analogues, is rationalized using molecular modeling. Isomeric…”
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Roaming Reaction Pathways Along Excited States by Jordan, Meredith J. T., Kable, Scott H.

“…The photodissociation of NO 3 into NO and O 2 , an important atmospheric reaction, has no transition state but proceeds via an O atom roaming around the NO 2…”
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On the Extent of Intramolecular Hydrogen Bonding in Gas-Phase and Hydrated 1,2-Ethanediol by Crittenden, Deborah L, Thompson, Keiran C, Jordan, Meredith J. T

“…We investigate the quantum dynamical nature of hydrogen bonding in 1,2-ethanediol and monohydrated 1,2-ethanediol using different levels of ab initio theory…”
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The early Holocene sea level rise by Smith, D.E., Harrison, S., Firth, C.R., Jordan, J.T.

“…The causes, anatomy and consequences of the early Holocene sea level rise (EHSLR) are reviewed. The rise, of ca 60m, took place over most of the Earth as the…”
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Phototautomerization of Acetaldehyde to Vinyl Alcohol: A Primary Process in UV-Irradiated Acetaldehyde from 295 to 335 nm by Clubb, Alexander E, Jordan, Meredith J. T, Kable, S. H, Osborn, David L

“…The concentrations of organic acids, key species in the formation of secondary organic aerosols, are underestimated by atmospheric chemistry models by a factor…”
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Sea level rise and submarine mass failures on open continental margins by Smith, D.E., Harrison, S., Jordan, J.T.

“…Submarine mass failures (which include submarine slides or submarine landslides) occur widely on open continental margins. Understanding their cause is of…”
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The design and performance characteristics of a multileaf collimator by Jordan, T J, Williams, P C

“…A multileaf collimator, which has been in routine clinical use for both conventional and conformal radiotherapy for over four years, is described in detail…”
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H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation by D’Arcy, Jordan H, Jordan, Meredith J. T, Frankcombe, Terry J, Collins, Michael A

“…A general method is presented for constructing, from ab initio quantum chemistry calculations, the potential energy surface (PES) for H2 absorbed in a porous…”
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Synthesis and Conformational Analysis of α,β-Difluoro-γ-amino Acid Derivatives by Hunter, Luke, Jolliffe, Katrina A., Jordan, Meredith J. T., Jensen, Paul, Macquart, Rene B.

“…Shape control: Synthetic access has been achieved to all possible stereoisomers of the α,β‐difluoro‐γ‐amino acid motif. These novel building blocks can readily…”
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Modeling molecular response in uniform and non-uniform electric fields by Morris, Michael, Jordan, Meredith J T

“…The response of a molecule to an electric field E, often a model of environment, can be expressed in terms of a sum of power series expansions. We investigate…”
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CH5 +:  Chemistry's Chameleon Unmasked by Thompson, Keiran C, Crittenden, Deborah L, Jordan, Meredith J. T

“…The nuclear vibrational wave function and zero-point vibrational energy of CH5 + are calculated using quantum diffusion Monte Carlo techniques on an…”
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