Outputs (134)

Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process (2021)
Journal Article

Photochemical synthesis of highly reactive hydroperoxides and their conversion into useful products, such as 1,2,4-trioxanes, are of wide interest for synthetic organic chemistry and pharmaceutical manufacturing particularly because of their relevanc... Read More about Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process.

Pore-Scale Modeling of Fluid–Rock Chemical Interactions in Shale during Hydraulic Fracturing (2021)
Journal Article

During the hydraulic fracturing process in unconventional shale gas reservoirs, chemical interactions between the hydraulic fracturing fluid (HFF) and the shale rock could result in mineral precipitation and dissolution reactions, potentially influen... Read More about Pore-Scale Modeling of Fluid–Rock Chemical Interactions in Shale during Hydraulic Fracturing.

Critical Role of the Interphase at Magnesium Electrodes in Chloride-Free, Simple Salt Electrolytes (2021)
Journal Article

Magnesium (Mg) batteries are a potential beyond lithium-ion technology but currently suffer from poor cycling performance, partly due to the interphase formed when magnesium electrodes react with electrolytes. The use of magnesium bis(trifluoromethan... Read More about Critical Role of the Interphase at Magnesium Electrodes in Chloride-Free, Simple Salt Electrolytes.

Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions (2021)
Journal Article

For benzene, toluene, aniline, fluorobenzene, and phenol, even sophisticated treatments of electron correlation, such as MRCI and XMS-CASPT2 calculations, show oscillator strengths typically lower than experiment. Inclusion of a simple pseudo-diabati... Read More about Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions.

Piecing Together Large Polycyclic Aromatic Hydrocarbons and Fullerenes: A Combined ChemTEM Imaging and MALDI-ToF Mass Spectrometry Approach (2021)
Journal Article

Motivated by their importance in chemistry, physics, astronomy and materials science, we investigate routes to the formation of large polycyclic aromatic hydrocarbon (PAH) molecules and the fullerene C60 from specific smaller PAH building blocks. The... Read More about Piecing Together Large Polycyclic Aromatic Hydrocarbons and Fullerenes: A Combined ChemTEM Imaging and MALDI-ToF Mass Spectrometry Approach.

Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor Substituents (2021)
Journal Article

The optical properties of two Re(CO)3(bpy)Cl complexes in which the bpy is substituted with two donor (triphenylamine, TPA, ReTPA2) as well as both donor (TPA) and acceptor (benzothiadiazole, BTD, ReTPA-BTD) groups are presented. For ReTPA2 the absor... Read More about Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor Substituents.

Frontispiece: A Guide to Directing Group Removal: 8‐Aminoquinoline (2021)
Journal Article

Electronic, vibrational, and torsional couplings in N-methylpyrrole: Ground, first excited, and cation states (2021)
Journal Article

The electronic spectrum associated with the S1 ← S0 (Ã1A2←X̃1A1) one-photon transition of jet-cooled N-methylpyrrole is investigated using laser-induced fluorescence (LIF) and (1 + 1) resonance-enhanced multiphoton ionization (REMPI) spectroscopy; in... Read More about Electronic, vibrational, and torsional couplings in N-methylpyrrole: Ground, first excited, and cation states.

Wear performance of graphene nano platelets incorporated WC-Co coatings deposited by hybrid high velocity oxy fuel thermal spray (2021)
Journal Article

WC-Co coatings have been used as wear resistant coatings in aero engines for decades, and research is still ongoing to further improve the performance of these coatings through compositional modifications to reduce wear. The coatings are used for unl... Read More about Wear performance of graphene nano platelets incorporated WC-Co coatings deposited by hybrid high velocity oxy fuel thermal spray.

The influence of surface charge on the coalescence of ice and dust particles in the mesosphere and lower thermosphere (2021)
Journal Article

Agglomeration of charged ice and dust particles in the mesosphere and lower thermosphere is studied using a classical electrostatic approach, which is extended to capture the induced polarisation of surface charge. Collision outcomes are predicted wh... Read More about The influence of surface charge on the coalescence of ice and dust particles in the mesosphere and lower thermosphere.