Excited electronic states of Na2 and K2: The potential for long-lived "reservoir" states leading to collision induced population inversions.

Potential energy curves (PECs) for the spin-free (ΛS) and spin-orbit (Ω) states associated with the four lowest-lying dissociation channels of Na2 and K2 were calculated at the SA-CASSCF/SO-CASPT2/aug-cc-pwCVQZ-DK level. The PECs of Na2 were consistent with the experimental data and with the FS-CCSD (2,0) calculations, reproducing the double-well and the "shelf" character for some of the potentials of the excited states. For K2, the PECs behaved in a similar way and the spectroscopic parameters for the ground and the excited states are in good agreement with the available experimental values.

Analytical Performance and Concordance with Next-Generation Sequencing of a Rapid, Multiplexed dPCR Panel for the Detection of DNA and RNA Biomarkers in Non-Small-Cell Lung Cancer.

FDA approval of targeted therapies for lung cancer has significantly improved patient survival rates. Despite these improvements, barriers to timely access to biomarker information, such as nucleic acid input, still exist. Here, we report the analytical performance and concordance with next-generation sequencing (NGS) of a highly multiplexed research-use-only (RUO) panel using digital PCR (dPCR).

Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules.

The chemiluminescent reactions of the group 3 metals Sc and Y with F, Cl, Br, ClF, ICl (Sc), IBr (Y), and SF and La with F, SF, Cl, and ClF have been studied at low pressures (6 × 10 to 4 × 10 Torr) using a beam-gas arrangement and extended to the 10 Torr multiple collision pressure range. Contrary to previous reports, the observed chemiluminescent spectra are primarily attributed to emission from the metal monohalides. Extensive pressure and temperature dependence studies and high-level correlated molecular orbital theory calculations of the bond dissociation energies support this conclusion and the attribution of the chemiluminescence.

Excited Electronic State Cross Sections for Group 3 Halide and Oxide Production: Evaluating Relative Excited-State Quantum Yields.

The cross sections for excited-state formation from the reactions of the group 3 metals, Sc, Y, and La, with F and NO, are evaluated from experimental data. Detailed calibrations indicate that the cross sections for MF formation greatly exceed those for MO formation. The experimentally determined cross sections are compared to upper bounds for total reactive cross sections.