https://nova.newcastle.edu.au/vital/access/ /manager/Index en-au 5 Postcombustion capture of CO₂ by diamines containing one primary and one tertiary amino group: reaction rate and mechanism https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:42625 Wed 31 Aug 2022 15:54:21 AEST ]]> Ca²⁺ stores regulate ryanodine receptor Ca²⁺ release channels via luminal and cytosolic Ca²⁺ sites https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3304 Wed 11 Apr 2018 15:22:34 AEST ]]> Interactions between halide anions and interfacial water molecules in relation to the Jones-Ray effect https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:17008 Wed 11 Apr 2018 15:02:33 AEST ]]> Continuum modeling with functional Lennard-Jones parameters for methane storage inside various carbon nanostructures https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:50834 Tue 30 Apr 2024 09:47:41 AEST ]]> Modeling Ultrafast Transport of Water Clusters in Carbon Nanotubes https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:54443 Tue 27 Feb 2024 14:00:33 AEDT ]]> Enantiospecific adsorption and decomposition of cysteine enantiomers on the chiral cu{421}R surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:37110 R surface. Although very little difference was observed in the molecular orientation of the two enantiomers as observed with near-edge X-ray absorption fine structure, a large variation in the sulfur bond scission energy was measured using a high-resolution X-ray photoelectron spectroscopy thermal annealing sequence. As a result of this scission process, enantiomers of cysteine molecules completely dissociate into alaninate at temperatures separated by as much as 16 K or 0.06 eV which is one of the largest stereo effects observed on chiral metal surfaces.]]> Tue 18 Aug 2020 13:18:42 AEST ]]> A massive prestellar clump hosting no high-mass cores https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:34083 ⊙), cold (12 K), and 3.6–70 μm IR dark clump (MM1) that has the potential to form high-mass stars. We observed this prestellar clump candidate with the Submillimeter Array (~3".5 resolution) and Jansky Very Large Array (~2farcs1 resolution) in order to characterize the early stages of high-mass star formation and to constrain theoretical models. Dust emission at 1.3 mm wavelength reveals five cores with masses ≤15 M. None of the cores currently have the mass reservoir to form a high-mass star in the prestellar phase. If the MM1 clump will ultimately form high-mass stars, its embedded cores must gather a significant amount of additional mass over time. No molecular outflows are detected in the CO (2-1) and SiO (5-4) transitions, suggesting that the SMA cores are starless. By using the NH₃ (1, 1) line, the velocity dispersion of the gas is determined to be transonic or mildly supersonic (ΔVnt/ΔVth ~ 1.1–1.8). The cores are not highly supersonic as some theories of high-mass star formation predict. The embedded cores are four to seven times more massive than the clump thermal Jeans mass and the most massive core (SMA1) is nine times less massive than the clump turbulent Jeans mass. These values indicate that neither thermal pressure nor turbulent pressure dominates the fragmentation of MM1. The low virial parameters of the cores (0.1–0.5) suggest that they are not in virial equilibrium, unless strong magnetic fields of ~1–2 mG are present. We discuss high-mass star formation scenarios in a context based on IRDC G028.23-00.19, a study case believed to represent the initial fragmentation of molecular clouds that will form high-mass stars.]]> Tue 03 Sep 2019 18:23:32 AEST ]]> Controlling piezoresistance in single molecules through the isomerisation of bullvalenes https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:53500 Thu 30 Nov 2023 15:58:22 AEDT ]]> Probing the chemical reactivity of the B<inf>2</inf>O<inf>3</inf> -I (1 0 1) Surface: Interaction with H<inf>2</inf>O and H<inf>2</inf>S https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:51853 Thu 21 Sep 2023 09:40:56 AEST ]]> New functional Lennard-Jones parameters for heterogeneous molecules https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:41016 Thu 21 Jul 2022 12:01:23 AEST ]]> Ab initio and DFT cation affinity study of selected neurosteroids https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:474 Sat 24 Mar 2018 11:02:58 AEDT ]]> Opportunities and challenges in probing local composition of organic material blends for photovoltaics https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:31411 70BM formed during the transfer of spin-coated polymer:PC70BM blend films onto Cu-grids lead to an underestimation of PC70BM/polymer concentration ratios. Finally, we show that the selective degradation of one of the components can impair the accurate determination of local blend composition.]]> Sat 24 Mar 2018 08:45:15 AEDT ]]> Symmetrical diamides based on 2,6-bis(methoxycarbonyl)pyridine: syntheses and metal ion binding studies https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:8393 Sat 24 Mar 2018 08:40:59 AEDT ]]> Bad soap (letter) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:8196 Sat 24 Mar 2018 08:36:19 AEDT ]]> Bacterial subcellular architecture: recent advances and future prospects https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:2479 Sat 24 Mar 2018 08:27:44 AEDT ]]> Interaction of chlorine and oxygen with the Cu(100) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:10420 Sat 24 Mar 2018 08:12:38 AEDT ]]> An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:17930 Sat 24 Mar 2018 07:56:36 AEDT ]]> Small molecules demonstrate the role of dynamin as a bi-directional regulator of the exocytosis fusion pore and vesicle release https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:28297 Sat 24 Mar 2018 07:33:49 AEDT ]]> Investigating the enantioselectivity of alanine on a chiral Cu{421}R surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:22267 R surface. Very little enantioselectivity was observed in the HR-XPS thermal desorption; however, there was a large difference in the dissociation products left on the surface between the two enantiomers. NEXAFS spectroscopy also exhibited only minor differences in the molecular adsorption of the two enantiomer layers; however, low-energy electron diffraction (LEED) images revealed significant differences in the structure of the adsorbed layers. d-alanine forms a p(2 × 3) overlayer while l-alanine forms a combination of p(1 × 2) overlayer and faceted steps oriented in the [−110] direction. Intermolecular bonding and steric effects play a significant role in these stereoselective differences by maximizing the hydrogen bonding between the molecules. This study clearly shows that single chiral tests are not adequate to ascertain the true enantioselective properties of the given system.]]> Sat 24 Mar 2018 07:17:41 AEDT ]]> Boosting inverted perovskite solar cell performance by using 9,9-bis(4-diphenylaminophenyl)fluorene functionalized with triphenylamine as a dopant-free hole transporting material https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:48493 Mon 29 Jan 2024 18:00:46 AEDT ]]> Chemical bond imaging using torsional and flexural higher eigenmodes of qPlus sensors https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:51546 Fri 08 Sep 2023 14:58:30 AEST ]]>